1-chloro-3,3-difluoroprop-1-ene

C3H3ClF2 — CID 54429116

IUPAC1-chloro-3,3-difluoroprop-1-ene
SMILESFC(F)C=CCl
InChIInChI=1S/C3H3ClF2/c4-2-1-3(5)6/h1-3H
InChIKeyILJQUKRTBVYTFL-UHFFFAOYSA-N
MW112.51 g/mol
LogP2.00
Rot. Bonds1

About 1-chloro-3,3-difluoroprop-1-ene

1-chloro-3,3-difluoroprop-1-ene (PubChem CID 54429116) has the molecular formula C3H3ClF2 and a molecular weight of 112.51 g/mol. Its IUPAC name is 1-chloro-3,3-difluoroprop-1-ene.

Molecular Properties

Compound Name1-chloro-3,3-difluoroprop-1-ene
PubChem CID54429116
Molecular FormulaC3H3ClF2
Molecular Weight112.51 g/mol
Exact Mass111.99
IUPAC Name1-chloro-3,3-difluoroprop-1-ene
SMILESFC(F)C=CCl
InChIInChI=1S/C3H3ClF2/c4-2-1-3(5)6/h1-3H
InChIKeyILJQUKRTBVYTFL-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.51
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,3-difluoroprop-1-ene?
The IUPAC name of 1-chloro-3,3-difluoroprop-1-ene (CID 54429116) is 1-chloro-3,3-difluoroprop-1-ene.
What is the SMILES notation for 1-chloro-3,3-difluoroprop-1-ene?
The canonical SMILES for 1-chloro-3,3-difluoroprop-1-ene is FC(F)C=CCl.
What is the InChIKey of 1-chloro-3,3-difluoroprop-1-ene?
The InChIKey is ILJQUKRTBVYTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClF2/c4-2-1-3(5)6/h1-3H.
What are the key properties of 1-chloro-3,3-difluoroprop-1-ene?
1-chloro-3,3-difluoroprop-1-ene has a molecular weight of 112.51 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3-difluoroprop-1-ene is sourced from PubChem (CID 54429116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).