1-chloro-1,3-difluoropropa-1,2-diene

C3HClF2 — CID 101109098

IUPAC1-chloro-1,3-difluoropropa-1,2-diene
SMILESFC=C=C(F)Cl
InChIInChI=1S/C3HClF2/c4-3(6)1-2-5/h2H
InChIKeyUTLDBVYQKRKIPK-UHFFFAOYSA-N
MW110.49 g/mol
LogP2.12
Rot. Bonds

About 1-chloro-1,3-difluoropropa-1,2-diene

1-chloro-1,3-difluoropropa-1,2-diene (PubChem CID 101109098) has the molecular formula C3HClF2 and a molecular weight of 110.49 g/mol. Its IUPAC name is 1-chloro-1,3-difluoropropa-1,2-diene.

Molecular Properties

Compound Name1-chloro-1,3-difluoropropa-1,2-diene
PubChem CID101109098
Molecular FormulaC3HClF2
Molecular Weight110.49 g/mol
Exact Mass109.97
IUPAC Name1-chloro-1,3-difluoropropa-1,2-diene
SMILESFC=C=C(F)Cl
InChIInChI=1S/C3HClF2/c4-3(6)1-2-5/h2H
InChIKeyUTLDBVYQKRKIPK-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.49
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,3-difluoropropa-1,2-diene?
The IUPAC name of 1-chloro-1,3-difluoropropa-1,2-diene (CID 101109098) is 1-chloro-1,3-difluoropropa-1,2-diene.
What is the SMILES notation for 1-chloro-1,3-difluoropropa-1,2-diene?
The canonical SMILES for 1-chloro-1,3-difluoropropa-1,2-diene is FC=C=C(F)Cl.
What is the InChIKey of 1-chloro-1,3-difluoropropa-1,2-diene?
The InChIKey is UTLDBVYQKRKIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClF2/c4-3(6)1-2-5/h2H.
What are the key properties of 1-chloro-1,3-difluoropropa-1,2-diene?
1-chloro-1,3-difluoropropa-1,2-diene has a molecular weight of 110.49 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,3-difluoropropa-1,2-diene is sourced from PubChem (CID 101109098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).