2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene

C4H3F5 — CID 19788850

IUPAC2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene
SMILESFC=C(C(F)F)C(F)F
InChIInChI=1S/C4H3F5/c5-1-2(3(6)7)4(8)9/h1,3-4H
InChIKeyHLOLMOSDEYAVKG-UHFFFAOYSA-N
MW146.06 g/mol
LogP2.37
Rot. Bonds2

About 2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene

2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene (PubChem CID 19788850) has the molecular formula C4H3F5 and a molecular weight of 146.06 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene
PubChem CID19788850
Molecular FormulaC4H3F5
Molecular Weight146.06 g/mol
Exact Mass146.02
IUPAC Name2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene
SMILESFC=C(C(F)F)C(F)F
InChIInChI=1S/C4H3F5/c5-1-2(3(6)7)4(8)9/h1,3-4H
InChIKeyHLOLMOSDEYAVKG-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.06
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene?
The IUPAC name of 2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene (CID 19788850) is 2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene?
The canonical SMILES for 2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene is FC=C(C(F)F)C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene?
The InChIKey is HLOLMOSDEYAVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5/c5-1-2(3(6)7)4(8)9/h1,3-4H.
What are the key properties of 2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene?
2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene has a molecular weight of 146.06 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 19788850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).