1,1,1-trifluoroethane;1,1,2-trifluoroethane

C4H6F6 — CID 157050419

IUPAC1,1,1-trifluoroethane;1,1,2-trifluoroethane
SMILESCC(F)(F)F.FCC(F)F
InChIInChI=1S/2C2H3F3/c1-2(3,4)5;3-1-2(4)5/h1H3;2H,1H2
InChIKeyAADCYKHJZCQCEY-UHFFFAOYSA-N
MW168.08 g/mol
LogP2.79
Rot. Bonds1

About 1,1,1-trifluoroethane;1,1,2-trifluoroethane

1,1,1-trifluoroethane;1,1,2-trifluoroethane (PubChem CID 157050419) has the molecular formula C4H6F6 and a molecular weight of 168.08 g/mol. Its IUPAC name is 1,1,1-trifluoroethane;1,1,2-trifluoroethane.

Molecular Properties

Compound Name1,1,1-trifluoroethane;1,1,2-trifluoroethane
PubChem CID157050419
Molecular FormulaC4H6F6
Molecular Weight168.08 g/mol
Exact Mass168.04
IUPAC Name1,1,1-trifluoroethane;1,1,2-trifluoroethane
SMILESCC(F)(F)F.FCC(F)F
InChIInChI=1S/2C2H3F3/c1-2(3,4)5;3-1-2(4)5/h1H3;2H,1H2
InChIKeyAADCYKHJZCQCEY-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.08
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
azane;methane;1,1,2-trifluoroethane
CID 175460328
azane;1,1,2-trifluoroethane;hydroiodide
CID 175552617
1,1,1-trifluoroethane trichloride
CID 159910186
2-fluoropropane;methoxymethane;propane;1,1,1-trifluoroethane
CID 165044243
1,3,3-trifluoro-2-(fluoromethyl)butane
CID 13207097
calcium;hydride;1,1,1-trifluoroethane
CID 174891674
ethene;1,1,1-trifluoroethane
CID 175131333
2,2-difluoropropane
CID 160894634
(1R)-1-chloro-1,2-difluoro-2-methylpropane
CID 129383496
1,2-difluoro-2-iodopropane
CID 175825476

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoroethane;1,1,2-trifluoroethane?
The IUPAC name of 1,1,1-trifluoroethane;1,1,2-trifluoroethane (CID 157050419) is 1,1,1-trifluoroethane;1,1,2-trifluoroethane.
What is the SMILES notation for 1,1,1-trifluoroethane;1,1,2-trifluoroethane?
The canonical SMILES for 1,1,1-trifluoroethane;1,1,2-trifluoroethane is CC(F)(F)F.FCC(F)F.
What is the InChIKey of 1,1,1-trifluoroethane;1,1,2-trifluoroethane?
The InChIKey is AADCYKHJZCQCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3F3/c1-2(3,4)5;3-1-2(4)5/h1H3;2H,1H2.
What are the key properties of 1,1,1-trifluoroethane;1,1,2-trifluoroethane?
1,1,1-trifluoroethane;1,1,2-trifluoroethane has a molecular weight of 168.08 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoroethane;1,1,2-trifluoroethane is sourced from PubChem (CID 157050419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).