1,1,2-trifluoropropane

C3H5F3 — CID 10486802

IUPAC1,1,2-trifluoropropane
SMILESCC(F)C(F)F
InChIInChI=1S/C3H5F3/c1-2(4)3(5)6/h2-3H,1H3
InChIKeyHHRQYHKSSIGXJV-UHFFFAOYSA-N
MW98.07 g/mol
LogP1.61
Rot. Bonds1

About 1,1,2-trifluoropropane

1,1,2-trifluoropropane (PubChem CID 10486802) has the molecular formula C3H5F3 and a molecular weight of 98.07 g/mol. Its IUPAC name is 1,1,2-trifluoropropane.

Molecular Properties

Compound Name1,1,2-trifluoropropane
PubChem CID10486802
Molecular FormulaC3H5F3
Molecular Weight98.07 g/mol
Exact Mass98.03
IUPAC Name1,1,2-trifluoropropane
SMILESCC(F)C(F)F
InChIInChI=1S/C3H5F3/c1-2(4)3(5)6/h2-3H,1H3
InChIKeyHHRQYHKSSIGXJV-UHFFFAOYSA-N
XLogP1.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.07
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoropropane?
The IUPAC name of 1,1,2-trifluoropropane (CID 10486802) is 1,1,2-trifluoropropane.
What is the SMILES notation for 1,1,2-trifluoropropane?
The canonical SMILES for 1,1,2-trifluoropropane is CC(F)C(F)F.
What is the InChIKey of 1,1,2-trifluoropropane?
The InChIKey is HHRQYHKSSIGXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3/c1-2(4)3(5)6/h2-3H,1H3.
What are the key properties of 1,1,2-trifluoropropane?
1,1,2-trifluoropropane has a molecular weight of 98.07 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoropropane is sourced from PubChem (CID 10486802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).