1,1,1,2-tetrachloropropane

C6H8Cl8 — CID 87557158

IUPAC1,1,1,2-tetrachloropropane
SMILESCC(Cl)C(Cl)(Cl)Cl.CC(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/2C3H4Cl4/c2*1-2(4)3(5,6)7/h2*2H,1H3
InChIKeyGUHXHUUEEVFHIQ-UHFFFAOYSA-N
MW363.75 g/mol
LogP5.97
Rot. Bonds

About 1,1,1,2-tetrachloropropane

1,1,1,2-tetrachloropropane (PubChem CID 87557158) has the molecular formula C6H8Cl8 and a molecular weight of 363.75 g/mol. Its IUPAC name is 1,1,1,2-tetrachloropropane.

Molecular Properties

Compound Name1,1,1,2-tetrachloropropane
PubChem CID87557158
Molecular FormulaC6H8Cl8
Molecular Weight363.75 g/mol
Exact Mass359.81
IUPAC Name1,1,1,2-tetrachloropropane
SMILESCC(Cl)C(Cl)(Cl)Cl.CC(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/2C3H4Cl4/c2*1-2(4)3(5,6)7/h2*2H,1H3
InChIKeyGUHXHUUEEVFHIQ-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.75
LogP ≤ 55.97
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

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CID 13215584
chloro(trimethyl)phosphanium
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3,3,4-trichloropent-1-ene
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1-bromo-2-chloro-1,1-difluoropropane
CID 91578112
3,3,4-trichloropent-1-ene-1,1,2-triol
CID 118276167
(1S)-1-chloropropane-1,2-diol
CID 57125002
CID 118356908
CID 118356908
magnesium;2-chloropropane;dichloride
CID 158508799
3,3,4-trichloro-1,1,1-trifluoropentane
CID 167088156
chloroform;3,3,3-trichloro-2-methylpropanoic acid
CID 173429800
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
(4R)-2,2,4-trichloropentane
CID 642175

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrachloropropane?
The IUPAC name of 1,1,1,2-tetrachloropropane (CID 87557158) is 1,1,1,2-tetrachloropropane.
What is the SMILES notation for 1,1,1,2-tetrachloropropane?
The canonical SMILES for 1,1,1,2-tetrachloropropane is CC(Cl)C(Cl)(Cl)Cl.CC(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,2-tetrachloropropane?
The InChIKey is GUHXHUUEEVFHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4Cl4/c2*1-2(4)3(5,6)7/h2*2H,1H3.
What are the key properties of 1,1,1,2-tetrachloropropane?
1,1,1,2-tetrachloropropane has a molecular weight of 363.75 g/mol, XLogP of 5.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrachloropropane is sourced from PubChem (CID 87557158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).