(1R)-1,3,4-trichloro-1-methylcyclohexane

C7H11Cl3 — CID 174855385

IUPAC(1R)-1,3,4-trichloro-1-methylcyclohexane
SMILESC[C@@]1(Cl)CCC(Cl)C(Cl)C1
InChIInChI=1S/C7H11Cl3/c1-7(10)3-2-5(8)6(9)4-7/h5-6H,2-4H2,1H3/t5?,6?,7-/m1/s1
InChIKeyYVIPALJGAIYTEB-KPGICGJXSA-N
MW201.52 g/mol
LogP3.38
Rot. Bonds

About (1R)-1,3,4-trichloro-1-methylcyclohexane

(1R)-1,3,4-trichloro-1-methylcyclohexane (PubChem CID 174855385) has the molecular formula C7H11Cl3 and a molecular weight of 201.52 g/mol. Its IUPAC name is (1R)-1,3,4-trichloro-1-methylcyclohexane.

Molecular Properties

Compound Name(1R)-1,3,4-trichloro-1-methylcyclohexane
PubChem CID174855385
Molecular FormulaC7H11Cl3
Molecular Weight201.52 g/mol
Exact Mass199.99
IUPAC Name(1R)-1,3,4-trichloro-1-methylcyclohexane
SMILESC[C@@]1(Cl)CCC(Cl)C(Cl)C1
InChIInChI=1S/C7H11Cl3/c1-7(10)3-2-5(8)6(9)4-7/h5-6H,2-4H2,1H3/t5?,6?,7-/m1/s1
InChIKeyYVIPALJGAIYTEB-KPGICGJXSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.52
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1,3,4-trichloro-1-methylcyclohexane?
The IUPAC name of (1R)-1,3,4-trichloro-1-methylcyclohexane (CID 174855385) is (1R)-1,3,4-trichloro-1-methylcyclohexane.
What is the SMILES notation for (1R)-1,3,4-trichloro-1-methylcyclohexane?
The canonical SMILES for (1R)-1,3,4-trichloro-1-methylcyclohexane is C[C@@]1(Cl)CCC(Cl)C(Cl)C1.
What is the InChIKey of (1R)-1,3,4-trichloro-1-methylcyclohexane?
The InChIKey is YVIPALJGAIYTEB-KPGICGJXSA-N. The full InChI is InChI=1S/C7H11Cl3/c1-7(10)3-2-5(8)6(9)4-7/h5-6H,2-4H2,1H3/t5?,6?,7-/m1/s1.
What are the key properties of (1R)-1,3,4-trichloro-1-methylcyclohexane?
(1R)-1,3,4-trichloro-1-methylcyclohexane has a molecular weight of 201.52 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,3,4-trichloro-1-methylcyclohexane is sourced from PubChem (CID 174855385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).