(E)-1,3,3-trichloro-1-fluoroprop-1-ene

C3H2Cl3F — CID 87135979

IUPAC(E)-1,3,3-trichloro-1-fluoroprop-1-ene
SMILESF/C(Cl)=C\C(Cl)Cl
InChIInChI=1S/C3H2Cl3F/c4-2(5)1-3(6)7/h1-2H/b3-1-
InChIKeyYYDPDTHRBQYLSK-IWQZZHSRSA-N
MW163.41 g/mol
LogP2.84
Rot. Bonds1

About (E)-1,3,3-trichloro-1-fluoroprop-1-ene

(E)-1,3,3-trichloro-1-fluoroprop-1-ene (PubChem CID 87135979) has the molecular formula C3H2Cl3F and a molecular weight of 163.41 g/mol. Its IUPAC name is (E)-1,3,3-trichloro-1-fluoroprop-1-ene.

Molecular Properties

Compound Name(E)-1,3,3-trichloro-1-fluoroprop-1-ene
PubChem CID87135979
Molecular FormulaC3H2Cl3F
Molecular Weight163.41 g/mol
Exact Mass161.92
IUPAC Name(E)-1,3,3-trichloro-1-fluoroprop-1-ene
SMILESF/C(Cl)=C\C(Cl)Cl
InChIInChI=1S/C3H2Cl3F/c4-2(5)1-3(6)7/h1-2H/b3-1-
InChIKeyYYDPDTHRBQYLSK-IWQZZHSRSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.41
LogP ≤ 52.84
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 (E)-1,3,3-trichloro-1-fluoroprop-1-ene?
The IUPAC name of (E)-1,3,3-trichloro-1-fluoroprop-1-ene (CID 87135979) is (E)-1,3,3-trichloro-1-fluoroprop-1-ene.
What is the SMILES notation for (E)-1,3,3-trichloro-1-fluoroprop-1-ene?
The canonical SMILES for (E)-1,3,3-trichloro-1-fluoroprop-1-ene is F/C(Cl)=C\C(Cl)Cl.
What is the InChIKey of (E)-1,3,3-trichloro-1-fluoroprop-1-ene?
The InChIKey is YYDPDTHRBQYLSK-IWQZZHSRSA-N. The full InChI is InChI=1S/C3H2Cl3F/c4-2(5)1-3(6)7/h1-2H/b3-1-.
What are the key properties of (E)-1,3,3-trichloro-1-fluoroprop-1-ene?
(E)-1,3,3-trichloro-1-fluoroprop-1-ene has a molecular weight of 163.41 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3,3-trichloro-1-fluoroprop-1-ene is sourced from PubChem (CID 87135979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).