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

C3H2ClF3 — CID 2736716

IUPAC2-chloro-3,3,3-trifluoroprop-1-ene
SMILESC=C(Cl)C(F)(F)F
InChIInChI=1S/C3H2ClF3/c1-2(4)3(5,6)7/h1H2
InChIKeyOQISUJXQFPPARX-UHFFFAOYSA-N
MW130.50 g/mol
LogP2.30
Rot. Bonds

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

2-chloro-3,3,3-trifluoroprop-1-ene (PubChem CID 2736716) has the molecular formula C3H2ClF3 and a molecular weight of 130.50 g/mol. Its IUPAC name is 2-chloro-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name2-chloro-3,3,3-trifluoroprop-1-ene
PubChem CID2736716
Molecular FormulaC3H2ClF3
Molecular Weight130.50 g/mol
Exact Mass129.98
IUPAC Name2-chloro-3,3,3-trifluoroprop-1-ene
SMILESC=C(Cl)C(F)(F)F
InChIInChI=1S/C3H2ClF3/c1-2(4)3(5,6)7/h1H2
InChIKeyOQISUJXQFPPARX-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 2-chloro-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 2-chloro-3,3,3-trifluoroprop-1-ene (CID 2736716) is 2-chloro-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 2-chloro-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 2-chloro-3,3,3-trifluoroprop-1-ene is C=C(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-3,3,3-trifluoroprop-1-ene?
The InChIKey is OQISUJXQFPPARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClF3/c1-2(4)3(5,6)7/h1H2.
What are the key properties of 2-chloro-3,3,3-trifluoroprop-1-ene?
2-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 2-chloro-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 2736716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).