2-bromo-1,1,1,3-tetrachloropropane

C3H3BrCl4 — CID 121282275

IUPAC2-bromo-1,1,1,3-tetrachloropropane
SMILESClCC(Br)C(Cl)(Cl)Cl
InChIInChI=1S/C3H3BrCl4/c4-2(1-5)3(6,7)8/h2H,1H2
InChIKeyHEKFTTNKMXKLRV-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.36
Rot. Bonds1

About 2-bromo-1,1,1,3-tetrachloropropane

2-bromo-1,1,1,3-tetrachloropropane (PubChem CID 121282275) has the molecular formula C3H3BrCl4 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-bromo-1,1,1,3-tetrachloropropane.

Molecular Properties

Compound Name2-bromo-1,1,1,3-tetrachloropropane
PubChem CID121282275
Molecular FormulaC3H3BrCl4
Molecular Weight260.77 g/mol
Exact Mass257.82
IUPAC Name2-bromo-1,1,1,3-tetrachloropropane
SMILESClCC(Br)C(Cl)(Cl)Cl
InChIInChI=1S/C3H3BrCl4/c4-2(1-5)3(6,7)8/h2H,1H2
InChIKeyHEKFTTNKMXKLRV-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.36
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

3-bromo-1,1,1,4-tetrachlorobutane
CID 12718039
3-bromo-4-chloro-2,2-difluorobutanal
CID 54079918
2-bromo-3-chloropropanal
CID 12688066
2-bromo-1-chloropropane
CID 18175
3,3,3-trichloro-2-(chloromethyl)propan-1-amine
CID 88564775
1,1,1,2-tetrabromo-4-chlorobutane
CID 54571852
2-bromo-1-chloro-3-fluoropropane
CID 12759423
1,1,1,2-tetrachloroethane
CID 12418
1,3-dibromo-4-chloro-1,1-difluorobutane
CID 11822246
1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane
CID 23424235
1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane
CID 119097203
(dichloromethane);2,2,3,3-tetrachloropropan-1-ol
CID 172996538

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1,1,3-tetrachloropropane?
The IUPAC name of 2-bromo-1,1,1,3-tetrachloropropane (CID 121282275) is 2-bromo-1,1,1,3-tetrachloropropane.
What is the SMILES notation for 2-bromo-1,1,1,3-tetrachloropropane?
The canonical SMILES for 2-bromo-1,1,1,3-tetrachloropropane is ClCC(Br)C(Cl)(Cl)Cl.
What is the InChIKey of 2-bromo-1,1,1,3-tetrachloropropane?
The InChIKey is HEKFTTNKMXKLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrCl4/c4-2(1-5)3(6,7)8/h2H,1H2.
What are the key properties of 2-bromo-1,1,1,3-tetrachloropropane?
2-bromo-1,1,1,3-tetrachloropropane has a molecular weight of 260.77 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1,1,3-tetrachloropropane is sourced from PubChem (CID 121282275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).