1,1,1-trifluoroethane

C4H6F6 — CID 91327996

IUPAC1,1,1-trifluoroethane
SMILESCC(F)(F)F.CC(F)(F)F
InChIInChI=1S/2C2H3F3/c2*1-2(3,4)5/h2*1H3
InChIKeyYOORICCYTBZAIX-UHFFFAOYSA-N
MW168.08 g/mol
LogP3.14
Rot. Bonds

About 1,1,1-trifluoroethane

1,1,1-trifluoroethane (PubChem CID 91327996) has the molecular formula C4H6F6 and a molecular weight of 168.08 g/mol. Its IUPAC name is 1,1,1-trifluoroethane.

Molecular Properties

Compound Name1,1,1-trifluoroethane
PubChem CID91327996
Molecular FormulaC4H6F6
Molecular Weight168.08 g/mol
Exact Mass168.04
IUPAC Name1,1,1-trifluoroethane
SMILESCC(F)(F)F.CC(F)(F)F
InChIInChI=1S/2C2H3F3/c2*1-2(3,4)5/h2*1H3
InChIKeyYOORICCYTBZAIX-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.08
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane trichloride
CID 159910186
calcium;hydride;1,1,1-trifluoroethane
CID 174891674
ethene;1,1,1-trifluoroethane
CID 175131333
2,2-difluoropropane
CID 160894634
benzene;1,1,1-trifluoroethane
CID 91299000
2,2-difluoropropane;ethane
CID 144524394
2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane
CID 142473666
1,1,1-trifluoroethane;1,1,2-trifluoroethane
CID 157050419
benzene;ethane;methanamine;1,1,1-trifluoroethane
CID 91454507
1-chloro-1,1-difluoroethane;hydrate
CID 22410972
2,2,3,3,4,4-hexafluoropentane
CID 18188371

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoroethane?
The IUPAC name of 1,1,1-trifluoroethane (CID 91327996) is 1,1,1-trifluoroethane.
What is the SMILES notation for 1,1,1-trifluoroethane?
The canonical SMILES for 1,1,1-trifluoroethane is CC(F)(F)F.CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoroethane?
The InChIKey is YOORICCYTBZAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3F3/c2*1-2(3,4)5/h2*1H3.
What are the key properties of 1,1,1-trifluoroethane?
1,1,1-trifluoroethane has a molecular weight of 168.08 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoroethane is sourced from PubChem (CID 91327996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).