1,2,3-trifluoropropane

C3H5F3 — CID 12759425

IUPAC1,2,3-trifluoropropane
SMILESFCC(F)CF
InChIInChI=1S/C3H5F3/c4-1-3(6)2-5/h3H,1-2H2
InChIKeyCAAVRWGWEIQJEH-UHFFFAOYSA-N
MW98.07 g/mol
LogP1.26
Rot. Bonds2

About 1,2,3-trifluoropropane

1,2,3-trifluoropropane (PubChem CID 12759425) has the molecular formula C3H5F3 and a molecular weight of 98.07 g/mol. Its IUPAC name is 1,2,3-trifluoropropane.

Molecular Properties

Compound Name1,2,3-trifluoropropane
PubChem CID12759425
Molecular FormulaC3H5F3
Molecular Weight98.07 g/mol
Exact Mass98.03
IUPAC Name1,2,3-trifluoropropane
SMILESFCC(F)CF
InChIInChI=1S/C3H5F3/c4-1-3(6)2-5/h3H,1-2H2
InChIKeyCAAVRWGWEIQJEH-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-Difluoroethane
CID 12223
Propane, 1,3-difluoro-
CID 68041
1,2-Difluoropropane
CID 18960304
1,1,3-Trifluoropropane
CID 12927177
(2S)-1,2-difluoropropane
CID 57469931
Propane, 1,2-difluoro-
CID 57469930
CID 53628485
CID 53628485
CID 85993271
CID 85993271
3-Fluoropropyl
CID 53628447
1,2,4-Trifluorobutane
CID 57667515
CID 58608426
CID 58608426
CID 59530381
CID 59530381

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoropropane?
The IUPAC name of 1,2,3-trifluoropropane (CID 12759425) is 1,2,3-trifluoropropane.
What is the SMILES notation for 1,2,3-trifluoropropane?
The canonical SMILES for 1,2,3-trifluoropropane is FCC(F)CF.
What is the InChIKey of 1,2,3-trifluoropropane?
The InChIKey is CAAVRWGWEIQJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3/c4-1-3(6)2-5/h3H,1-2H2.
What are the key properties of 1,2,3-trifluoropropane?
1,2,3-trifluoropropane has a molecular weight of 98.07 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoropropane is sourced from PubChem (CID 12759425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).