3,3,4-trichloropent-1-ene

C5H7Cl3 — CID 174917645

IUPAC3,3,4-trichloropent-1-ene
SMILESC=CC(Cl)(Cl)C(C)Cl
InChIInChI=1S/C5H7Cl3/c1-3-5(7,8)4(2)6/h3-4H,1H2,2H3
InChIKeySDWCLXOEOUFMOR-UHFFFAOYSA-N
MW173.47 g/mol
LogP2.97
Rot. Bonds2

About 3,3,4-trichloropent-1-ene

3,3,4-trichloropent-1-ene (PubChem CID 174917645) has the molecular formula C5H7Cl3 and a molecular weight of 173.47 g/mol. Its IUPAC name is 3,3,4-trichloropent-1-ene.

Molecular Properties

Compound Name3,3,4-trichloropent-1-ene
PubChem CID174917645
Molecular FormulaC5H7Cl3
Molecular Weight173.47 g/mol
Exact Mass171.96
IUPAC Name3,3,4-trichloropent-1-ene
SMILESC=CC(Cl)(Cl)C(C)Cl
InChIInChI=1S/C5H7Cl3/c1-3-5(7,8)4(2)6/h3-4H,1H2,2H3
InChIKeySDWCLXOEOUFMOR-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,3,4-trichloropent-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,2-tetrachloropropane
CID 87557158
3,3,3-trichloroprop-1-ene
CID 157415991
1,1-dichloroprop-2-enyl(trimethyl)silane
CID 11137777
3,4-dimethylhexa-1,5-diene
CID 521244
1,1-dichloro-2-methylbut-3-en-2-ol
CID 119096410
3-(chloromethyl)-3,5-dimethylhex-1-ene
CID 102642065
ethane;ethene;3-methylbut-1-ene
CID 145381296
but-3-en-2-yl(dichloro)silane
CID 123211914
2-but-3-en-2-yl-2-chloropropanedinitrile
CID 19832559
chloro(trimethyl)phosphanium
CID 15830224
3,3,4,4,5-pentamethylhex-1-ene
CID 23384855
buta-1,3-diene;2-methylpropane
CID 161376198

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trichloropent-1-ene?
The IUPAC name of 3,3,4-trichloropent-1-ene (CID 174917645) is 3,3,4-trichloropent-1-ene.
What is the SMILES notation for 3,3,4-trichloropent-1-ene?
The canonical SMILES for 3,3,4-trichloropent-1-ene is C=CC(Cl)(Cl)C(C)Cl.
What is the InChIKey of 3,3,4-trichloropent-1-ene?
The InChIKey is SDWCLXOEOUFMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl3/c1-3-5(7,8)4(2)6/h3-4H,1H2,2H3.
What are the key properties of 3,3,4-trichloropent-1-ene?
3,3,4-trichloropent-1-ene has a molecular weight of 173.47 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trichloropent-1-ene is sourced from PubChem (CID 174917645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).