3,3-difluoroprop-1-ene

C3H4F2 — CID 12591132

IUPAC3,3-difluoroprop-1-ene
SMILESC=CC(F)F
InChIInChI=1S/C3H4F2/c1-2-3(4)5/h2-3H,1H2
InChIKeyBUMFHKJRHRUGNU-UHFFFAOYSA-N
MW78.06 g/mol
LogP1.44
Rot. Bonds1

About 3,3-difluoroprop-1-ene

3,3-difluoroprop-1-ene (PubChem CID 12591132) has the molecular formula C3H4F2 and a molecular weight of 78.06 g/mol. Its IUPAC name is 3,3-difluoroprop-1-ene.

Molecular Properties

Compound Name3,3-difluoroprop-1-ene
PubChem CID12591132
Molecular FormulaC3H4F2
Molecular Weight78.06 g/mol
Exact Mass78.03
IUPAC Name3,3-difluoroprop-1-ene
SMILESC=CC(F)F
InChIInChI=1S/C3H4F2/c1-2-3(4)5/h2-3H,1H2
InChIKeyBUMFHKJRHRUGNU-UHFFFAOYSA-N
XLogP1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.06
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoropropene
CID 12672
3-Fluoropropene
CID 69958
1,1-Difluoro-1,3-butadiene
CID 11506444
1,3,3-Trifluoro-1-propene
CID 6365375
1-Propene, 1,3,3-trifluoro-, (Z)-
CID 50938809
1,3,3-Trifluoroprop-1-ene
CID 3015636
3-(Trifluoromethyltellanyl)prop-1-ene
CID 15006300
1,3-Difluoropropene
CID 18413637
3-(1,2,2-Trifluoroethyltellanyl)prop-1-ene
CID 19025121
(E)-1,1,4-trifluorobut-2-ene
CID 19763108
1,3-Difluoroprop-1-ene
CID 53395448
Fluoroform;prop-1-ene
CID 53773594

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroprop-1-ene?
The IUPAC name of 3,3-difluoroprop-1-ene (CID 12591132) is 3,3-difluoroprop-1-ene.
What is the SMILES notation for 3,3-difluoroprop-1-ene?
The canonical SMILES for 3,3-difluoroprop-1-ene is C=CC(F)F.
What is the InChIKey of 3,3-difluoroprop-1-ene?
The InChIKey is BUMFHKJRHRUGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2/c1-2-3(4)5/h2-3H,1H2.
What are the key properties of 3,3-difluoroprop-1-ene?
3,3-difluoroprop-1-ene has a molecular weight of 78.06 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroprop-1-ene is sourced from PubChem (CID 12591132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).