Calcium Fluoride

CAS: 7789-75-5 · CaF2

2D Structure

Loading 3D structure...

CAS Registry Number

7789-75-5

SMILES

[Ca+2].[F-].[F-]

InChI Key

WUKWITHWXAAZEY-UHFFFAOYSA-L

InChI

InChI=1S/Ca.2FH/h;2*1H/q+2;;/p-2

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	78.07 g/mol	CAS Common Chemistry
	78.07400000000001 g/mol	RDKit
	78.074 g/mol	RDKit
	82.106 g/mol	chempirical lib
Density	3.18 g/cm³	CAS Common Chemistry
	3.18 g/cm3	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Calcium_fluoride	CAS Common Chemistry
Boiling Point	2500 °C	CAS Common Chemistry
Canonical SMILES	F[Ca]F	CAS Common Chemistry
InChI	InChI=1S/Ca.2FH/h;2*1H/q+2;;/p-2	CAS Common Chemistry
InChI Key	InChIKey=WUKWITHWXAAZEY-UHFFFAOYSA-L	CAS Common Chemistry
Melting Point	1403 °C	CAS Common Chemistry
Name	Calcium fluoride	CAS Common Chemistry
Heavy Atom Count	3	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	-6.3728	RDKit
Molar Refractivity	5.754 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	77.95939742000002 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 78.07 g/mol; density = 3.180 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)