1,3,3-trifluoroprop-1-ene

C3H3F3 — CID 3015636

IUPAC1,3,3-trifluoroprop-1-ene
SMILESFC=CC(F)F
InChIInChI=1S/C3H3F3/c4-2-1-3(5)6/h1-3H
InChIKeyFFTOUVYEKNGDCM-UHFFFAOYSA-N
MW96.05 g/mol
LogP1.73
Rot. Bonds1

About 1,3,3-trifluoroprop-1-ene

1,3,3-trifluoroprop-1-ene (PubChem CID 3015636) has the molecular formula C3H3F3 and a molecular weight of 96.05 g/mol. Its IUPAC name is 1,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name1,3,3-trifluoroprop-1-ene
PubChem CID3015636
Molecular FormulaC3H3F3
Molecular Weight96.05 g/mol
Exact Mass96.02
IUPAC Name1,3,3-trifluoroprop-1-ene
SMILESFC=CC(F)F
InChIInChI=1S/C3H3F3/c4-2-1-3(5)6/h1-3H
InChIKeyFFTOUVYEKNGDCM-UHFFFAOYSA-N
XLogP1.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.05
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3,3-Trifluoropropene
CID 12672
Trans-1,3,3,3-tetrafluoropropene
CID 5708720
1,3,3,3-Tetrafluoropropene
CID 2776729
1,3,3,3-Tetrafluoropropene, (1Z)-
CID 11116025
3,3-Difluoropropene
CID 12591132
3,3-Difluorocyclopropene
CID 23234305
1,3,3-Trifluoro-1-propene
CID 6365375
Lithium 1,1-difluoroprop-2-en-1-ide
CID 12591131
1,1,3-Trifluoroprop-1-ene
CID 22956412
1-Propene, 1,3,3-trifluoro-, (Z)-
CID 50938809
(3E)-1,1,4-trifluorobuta-1,3-diene
CID 18927928
1,3-Difluoropropene
CID 18413637

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trifluoroprop-1-ene?
The IUPAC name of 1,3,3-trifluoroprop-1-ene (CID 3015636) is 1,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 1,3,3-trifluoroprop-1-ene?
The canonical SMILES for 1,3,3-trifluoroprop-1-ene is FC=CC(F)F.
What is the InChIKey of 1,3,3-trifluoroprop-1-ene?
The InChIKey is FFTOUVYEKNGDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3/c4-2-1-3(5)6/h1-3H.
What are the key properties of 1,3,3-trifluoroprop-1-ene?
1,3,3-trifluoroprop-1-ene has a molecular weight of 96.05 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 3015636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).