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

Name: 1,1,1-trifluoroethane;1,1,2-trifluoroethane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₄H₆F₆ — CID 157050419

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1,1,1-trifluoroethane;1,1,2-trifluoroethane
PubChem CID	157050419
Molecular Formula	C₄H₆F₆
Molecular Weight	168.08 g/mol
Exact Mass	168.04
IUPAC Name	1,1,1-trifluoroethane;1,1,2-trifluoroethane
SMILES	CC(F)(F)F.FCC(F)F
InChI	InChI=1S/2C2H3F3/c1-2(3,4)5;3-1-2(4)5/h1H3;2H,1H2
InChIKey	AADCYKHJZCQCEY-UHFFFAOYSA-N
XLogP	2.79
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	1
Heavy Atoms	10
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	168.08
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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).

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Sources

PubChem CID 157050419 — identifiers, structure, computed properties (public domain)

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