1,1,3-trifluoropropane

C3H5F3 — CID 12927177

IUPAC1,1,3-trifluoropropane
SMILESFCCC(F)F
InChIInChI=1S/C3H5F3/c4-2-1-3(5)6/h3H,1-2H2
InChIKeyGQSMEOJGQJMOHA-UHFFFAOYSA-N
MW98.07 g/mol
LogP1.61
Rot. Bonds2

About 1,1,3-trifluoropropane

1,1,3-trifluoropropane (PubChem CID 12927177) has the molecular formula C3H5F3 and a molecular weight of 98.07 g/mol. Its IUPAC name is 1,1,3-trifluoropropane.

Molecular Properties

Compound Name1,1,3-trifluoropropane
PubChem CID12927177
Molecular FormulaC3H5F3
Molecular Weight98.07 g/mol
Exact Mass98.03
IUPAC Name1,1,3-trifluoropropane
SMILESFCCC(F)F
InChIInChI=1S/C3H5F3/c4-2-1-3(5)6/h3H,1-2H2
InChIKeyGQSMEOJGQJMOHA-UHFFFAOYSA-N
XLogP1.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 1,1,3-trifluoropropane?
The IUPAC name of 1,1,3-trifluoropropane (CID 12927177) is 1,1,3-trifluoropropane.
What is the SMILES notation for 1,1,3-trifluoropropane?
The canonical SMILES for 1,1,3-trifluoropropane is FCCC(F)F.
What is the InChIKey of 1,1,3-trifluoropropane?
The InChIKey is GQSMEOJGQJMOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3/c4-2-1-3(5)6/h3H,1-2H2.
What are the key properties of 1,1,3-trifluoropropane?
1,1,3-trifluoropropane has a molecular weight of 98.07 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoropropane is sourced from PubChem (CID 12927177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).