[chloro(fluoro)methyl]cyclohexane

C7H12ClF — CID 134937924

IUPAC[chloro(fluoro)methyl]cyclohexane
SMILESFC(Cl)C1CCCCC1
InChIInChI=1S/C7H12ClF/c8-7(9)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyMDNXKFMDKHIMNO-UHFFFAOYSA-N
MW150.62 g/mol
LogP3.10
Rot. Bonds1

About [chloro(fluoro)methyl]cyclohexane

[chloro(fluoro)methyl]cyclohexane (PubChem CID 134937924) has the molecular formula C7H12ClF and a molecular weight of 150.62 g/mol. Its IUPAC name is [chloro(fluoro)methyl]cyclohexane.

Molecular Properties

Compound Name[chloro(fluoro)methyl]cyclohexane
PubChem CID134937924
Molecular FormulaC7H12ClF
Molecular Weight150.62 g/mol
Exact Mass150.06
IUPAC Name[chloro(fluoro)methyl]cyclohexane
SMILESFC(Cl)C1CCCCC1
InChIInChI=1S/C7H12ClF/c8-7(9)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyMDNXKFMDKHIMNO-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.62
LogP ≤ 53.10
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

difluoromethylcyclopentadecane
CID 101486578
difluoromethylcyclohexane
CID 11804807
cyclohexane;dichloromethylcyclohexane
CID 118430501
CID 174647360
CID 174647360
difluoromethylcyclohexane;propane
CID 144840509
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
1-chloroethylcyclododecane
CID 66468842
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
1,2,2-tricyclohexylethylcyclohexane
CID 59850833
1-cyclohexyl-2,2-difluoroethanol;hydrochloride
CID 162337180
1,5-dichloro-1,5-dicyclohexylpentan-3-one
CID 57145786
(2S)-2-cyclohexyl-2-fluoroacetonitrile
CID 11040792

Frequently Asked Questions

What is the IUPAC name of [chloro(fluoro)methyl]cyclohexane?
The IUPAC name of [chloro(fluoro)methyl]cyclohexane (CID 134937924) is [chloro(fluoro)methyl]cyclohexane.
What is the SMILES notation for [chloro(fluoro)methyl]cyclohexane?
The canonical SMILES for [chloro(fluoro)methyl]cyclohexane is FC(Cl)C1CCCCC1.
What is the InChIKey of [chloro(fluoro)methyl]cyclohexane?
The InChIKey is MDNXKFMDKHIMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClF/c8-7(9)6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of [chloro(fluoro)methyl]cyclohexane?
[chloro(fluoro)methyl]cyclohexane has a molecular weight of 150.62 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(fluoro)methyl]cyclohexane is sourced from PubChem (CID 134937924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).