1,1,4-trichloropent-1-ene

C5H7Cl3 — CID 23263214

IUPAC1,1,4-trichloropent-1-ene
SMILESCC(Cl)CC=C(Cl)Cl
InChIInChI=1S/C5H7Cl3/c1-4(6)2-3-5(7)8/h3-4H,2H2,1H3
InChIKeySDSSCYFRBRYDAS-UHFFFAOYSA-N
MW173.47 g/mol
LogP3.32
Rot. Bonds2

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

1,1,4-trichloropent-1-ene (PubChem CID 23263214) has the molecular formula C5H7Cl3 and a molecular weight of 173.47 g/mol. Its IUPAC name is 1,1,4-trichloropent-1-ene.

Molecular Properties

Compound Name1,1,4-trichloropent-1-ene
PubChem CID23263214
Molecular FormulaC5H7Cl3
Molecular Weight173.47 g/mol
Exact Mass171.96
IUPAC Name1,1,4-trichloropent-1-ene
SMILESCC(Cl)CC=C(Cl)Cl
InChIInChI=1S/C5H7Cl3/c1-4(6)2-3-5(7)8/h3-4H,2H2,1H3
InChIKeySDSSCYFRBRYDAS-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-chloro-2-methylsulfanylhex-2-ene
CID 170064017
2-tert-butyl-5,5-dichloropent-4-enoic acid
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(E)-N-(2-chloropropyl)hex-3-en-3-amine
CID 129055678
3,3-dichloroprop-2-enylsilane
CID 154086254
CID 169059230
CID 169059230
3,3-dichloroprop-2-ene-1-thiol
CID 19843654
(E)-2,4-dichlorodec-4-ene
CID 23264631
2-(3,3-dichloroprop-2-enyl)-1-propan-2-ylguanidine
CID 164646242
1,1,4-trichlorobut-1-ene
CID 10866623
2,6,6-trichlorohex-5-enoic acid
CID 131230160
1,1,1,2,3-pentachloropropane;1,1,3-trichloroprop-1-ene
CID 121282276
1,3,6,6-tetrachlorohexa-1,3-diene
CID 174654583

Frequently Asked Questions

What is the IUPAC name of 1,1,4-trichloropent-1-ene?
The IUPAC name of 1,1,4-trichloropent-1-ene (CID 23263214) is 1,1,4-trichloropent-1-ene.
What is the SMILES notation for 1,1,4-trichloropent-1-ene?
The canonical SMILES for 1,1,4-trichloropent-1-ene is CC(Cl)CC=C(Cl)Cl.
What is the InChIKey of 1,1,4-trichloropent-1-ene?
The InChIKey is SDSSCYFRBRYDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl3/c1-4(6)2-3-5(7)8/h3-4H,2H2,1H3.
What are the key properties of 1,1,4-trichloropent-1-ene?
1,1,4-trichloropent-1-ene has a molecular weight of 173.47 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4-trichloropent-1-ene is sourced from PubChem (CID 23263214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).