(4R)-2,2,4-trichloropentane

C5H9Cl3 — CID 642175

IUPAC(4R)-2,2,4-trichloropentane
SMILESC[C@@H](Cl)CC(C)(Cl)Cl
InChIInChI=1S/C5H9Cl3/c1-4(6)3-5(2,7)8/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyQONYBYKVLNSYGJ-SCSAIBSYSA-N
MW175.49 g/mol
LogP3.20
Rot. Bonds2

About (4R)-2,2,4-trichloropentane

(4R)-2,2,4-trichloropentane (PubChem CID 642175) has the molecular formula C5H9Cl3 and a molecular weight of 175.49 g/mol. Its IUPAC name is (4R)-2,2,4-trichloropentane.

Molecular Properties

Compound Name(4R)-2,2,4-trichloropentane
PubChem CID642175
Molecular FormulaC5H9Cl3
Molecular Weight175.49 g/mol
Exact Mass173.98
IUPAC Name(4R)-2,2,4-trichloropentane
SMILESC[C@@H](Cl)CC(C)(Cl)Cl
InChIInChI=1S/C5H9Cl3/c1-4(6)3-5(2,7)8/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyQONYBYKVLNSYGJ-SCSAIBSYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.49
LogP ≤ 53.20
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

1,1,3,3-tetrachlorobutane
CID 642174
(2S)-1,2,4,4-tetrachloropentane
CID 642179
6-chloro-4,4-dimethylhept-1-ene
CID 64716425
2-chloro-4,4-dimethyloctane
CID 64718117
2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane
CID 88732149
5-chloro-1-methoxy-2,3,3-trimethylhexane
CID 64717465
2,6-dichloro-2,3,3-trimethylheptane
CID 89224094
CID 19901950
CID 19901950
1-(4-chloro-2-methylpentan-2-yl)-3,5-dimethylcyclohexane
CID 64728956
1,1,5,5-tetrachloro-3,3-dimethylpentane
CID 88645201
1,1,1,2-tetrachloropropane
CID 87557158
2,4-dichloro-2-methylhexane
CID 15570353

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2,4-trichloropentane?
The IUPAC name of (4R)-2,2,4-trichloropentane (CID 642175) is (4R)-2,2,4-trichloropentane.
What is the SMILES notation for (4R)-2,2,4-trichloropentane?
The canonical SMILES for (4R)-2,2,4-trichloropentane is C[C@@H](Cl)CC(C)(Cl)Cl.
What is the InChIKey of (4R)-2,2,4-trichloropentane?
The InChIKey is QONYBYKVLNSYGJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9Cl3/c1-4(6)3-5(2,7)8/h4H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (4R)-2,2,4-trichloropentane?
(4R)-2,2,4-trichloropentane has a molecular weight of 175.49 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2,4-trichloropentane is sourced from PubChem (CID 642175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).