1,2-dichloro-3,3,3-trifluoroprop-1-ene

C3HCl2F3 — CID 521135

IUPAC1,2-dichloro-3,3,3-trifluoroprop-1-ene
SMILESFC(F)(F)C(Cl)=CCl
InChIInChI=1S/C3HCl2F3/c4-1-2(5)3(6,7)8/h1H
InChIKeyZHJBJVPTRJNNIK-UHFFFAOYSA-N
MW164.94 g/mol
LogP2.87
Rot. Bonds

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

1,2-dichloro-3,3,3-trifluoroprop-1-ene (PubChem CID 521135) has the molecular formula C3HCl2F3 and a molecular weight of 164.94 g/mol. Its IUPAC name is 1,2-dichloro-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name1,2-dichloro-3,3,3-trifluoroprop-1-ene
PubChem CID521135
Molecular FormulaC3HCl2F3
Molecular Weight164.94 g/mol
Exact Mass163.94
IUPAC Name1,2-dichloro-3,3,3-trifluoroprop-1-ene
SMILESFC(F)(F)C(Cl)=CCl
InChIInChI=1S/C3HCl2F3/c4-1-2(5)3(6,7)8/h1H
InChIKeyZHJBJVPTRJNNIK-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.94
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 1,2-dichloro-3,3,3-trifluoroprop-1-ene (CID 521135) is 1,2-dichloro-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 1,2-dichloro-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 1,2-dichloro-3,3,3-trifluoroprop-1-ene is FC(F)(F)C(Cl)=CCl.
What is the InChIKey of 1,2-dichloro-3,3,3-trifluoroprop-1-ene?
The InChIKey is ZHJBJVPTRJNNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl2F3/c4-1-2(5)3(6,7)8/h1H.
What are the key properties of 1,2-dichloro-3,3,3-trifluoroprop-1-ene?
1,2-dichloro-3,3,3-trifluoroprop-1-ene has a molecular weight of 164.94 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 521135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).