(Z)-1,3,3-trichloro-2-methylprop-1-ene

C4H5Cl3 — CID 5352137

IUPAC(Z)-1,3,3-trichloro-2-methylprop-1-ene
SMILESC/C(=C/Cl)C(Cl)Cl
InChIInChI=1S/C4H5Cl3/c1-3(2-5)4(6)7/h2,4H,1H3/b3-2-
InChIKeyRPKXMPUNLARZKR-IHWYPQMZSA-N
MW159.44 g/mol
LogP2.93
Rot. Bonds1

About (Z)-1,3,3-trichloro-2-methylprop-1-ene

(Z)-1,3,3-trichloro-2-methylprop-1-ene (PubChem CID 5352137) has the molecular formula C4H5Cl3 and a molecular weight of 159.44 g/mol. Its IUPAC name is (Z)-1,3,3-trichloro-2-methylprop-1-ene.

Molecular Properties

Compound Name(Z)-1,3,3-trichloro-2-methylprop-1-ene
PubChem CID5352137
Molecular FormulaC4H5Cl3
Molecular Weight159.44 g/mol
Exact Mass157.95
IUPAC Name(Z)-1,3,3-trichloro-2-methylprop-1-ene
SMILESC/C(=C/Cl)C(Cl)Cl
InChIInChI=1S/C4H5Cl3/c1-3(2-5)4(6)7/h2,4H,1H3/b3-2-
InChIKeyRPKXMPUNLARZKR-IHWYPQMZSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.44
LogP ≤ 52.93
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 (Z)-1,3,3-trichloro-2-methylprop-1-ene?
The IUPAC name of (Z)-1,3,3-trichloro-2-methylprop-1-ene (CID 5352137) is (Z)-1,3,3-trichloro-2-methylprop-1-ene.
What is the SMILES notation for (Z)-1,3,3-trichloro-2-methylprop-1-ene?
The canonical SMILES for (Z)-1,3,3-trichloro-2-methylprop-1-ene is C/C(=C/Cl)C(Cl)Cl.
What is the InChIKey of (Z)-1,3,3-trichloro-2-methylprop-1-ene?
The InChIKey is RPKXMPUNLARZKR-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H5Cl3/c1-3(2-5)4(6)7/h2,4H,1H3/b3-2-.
What are the key properties of (Z)-1,3,3-trichloro-2-methylprop-1-ene?
(Z)-1,3,3-trichloro-2-methylprop-1-ene has a molecular weight of 159.44 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3,3-trichloro-2-methylprop-1-ene is sourced from PubChem (CID 5352137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).