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

C3H2ClF3 — CID 2779022

IUPAC1-chloro-3,3,3-trifluoroprop-1-ene
SMILESFC(F)(F)C=CCl
InChIInChI=1S/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H
InChIKeyLDTMPQQAWUMPKS-UHFFFAOYSA-N
MW130.50 g/mol
LogP2.30
Rot. Bonds

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

1-chloro-3,3,3-trifluoroprop-1-ene (PubChem CID 2779022) has the molecular formula C3H2ClF3 and a molecular weight of 130.50 g/mol. Its IUPAC name is 1-chloro-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name1-chloro-3,3,3-trifluoroprop-1-ene
PubChem CID2779022
Molecular FormulaC3H2ClF3
Molecular Weight130.50 g/mol
Exact Mass129.98
IUPAC Name1-chloro-3,3,3-trifluoroprop-1-ene
SMILESFC(F)(F)C=CCl
InChIInChI=1S/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H
InChIKeyLDTMPQQAWUMPKS-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 1-chloro-3,3,3-trifluoroprop-1-ene (CID 2779022) is 1-chloro-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 1-chloro-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 1-chloro-3,3,3-trifluoroprop-1-ene is FC(F)(F)C=CCl.
What is the InChIKey of 1-chloro-3,3,3-trifluoroprop-1-ene?
The InChIKey is LDTMPQQAWUMPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H.
What are the key properties of 1-chloro-3,3,3-trifluoroprop-1-ene?
1-chloro-3,3,3-trifluoroprop-1-ene has a molecular weight of 130.50 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 2779022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).