3-chloro-1,2,3-trifluoroprop-1-ene

C3H2ClF3 — CID 54378571

IUPAC3-chloro-1,2,3-trifluoroprop-1-ene
SMILESFC=C(F)C(F)Cl
InChIInChI=1S/C3H2ClF3/c4-3(7)2(6)1-5/h1,3H
InChIKeyUAHVVXPNJLRMPX-UHFFFAOYSA-N
MW130.50 g/mol
LogP2.30
Rot. Bonds1

About 3-chloro-1,2,3-trifluoroprop-1-ene

3-chloro-1,2,3-trifluoroprop-1-ene (PubChem CID 54378571) has the molecular formula C3H2ClF3 and a molecular weight of 130.50 g/mol. Its IUPAC name is 3-chloro-1,2,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name3-chloro-1,2,3-trifluoroprop-1-ene
PubChem CID54378571
Molecular FormulaC3H2ClF3
Molecular Weight130.50 g/mol
Exact Mass129.98
IUPAC Name3-chloro-1,2,3-trifluoroprop-1-ene
SMILESFC=C(F)C(F)Cl
InChIInChI=1S/C3H2ClF3/c4-3(7)2(6)1-5/h1,3H
InChIKeyUAHVVXPNJLRMPX-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2,3-trifluoroprop-1-ene?
The IUPAC name of 3-chloro-1,2,3-trifluoroprop-1-ene (CID 54378571) is 3-chloro-1,2,3-trifluoroprop-1-ene.
What is the SMILES notation for 3-chloro-1,2,3-trifluoroprop-1-ene?
The canonical SMILES for 3-chloro-1,2,3-trifluoroprop-1-ene is FC=C(F)C(F)Cl.
What is the InChIKey of 3-chloro-1,2,3-trifluoroprop-1-ene?
The InChIKey is UAHVVXPNJLRMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClF3/c4-3(7)2(6)1-5/h1,3H.
What are the key properties of 3-chloro-1,2,3-trifluoroprop-1-ene?
3-chloro-1,2,3-trifluoroprop-1-ene has a molecular weight of 130.50 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2,3-trifluoroprop-1-ene is sourced from PubChem (CID 54378571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).