1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene

C15H20ClF — CID 63543352

IUPAC1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene
SMILESFc1cccc(CC(Cl)CC2CCCCC2)c1
InChIInChI=1S/C15H20ClF/c16-14(9-12-5-2-1-3-6-12)10-13-7-4-8-15(17)11-13/h4,7-8,11-12,14H,1-3,5-6,9-10H2
InChIKeySHGGHOFXEYXSEW-UHFFFAOYSA-N
MW254.78 g/mol
LogP4.95
Rot. Bonds4

About 1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene

1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene (PubChem CID 63543352) has the molecular formula C15H20ClF and a molecular weight of 254.78 g/mol. Its IUPAC name is 1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene
PubChem CID63543352
Molecular FormulaC15H20ClF
Molecular Weight254.78 g/mol
Exact Mass254.12
IUPAC Name1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene
SMILESFc1cccc(CC(Cl)CC2CCCCC2)c1
InChIInChI=1S/C15H20ClF/c16-14(9-12-5-2-1-3-6-12)10-13-7-4-8-15(17)11-13/h4,7-8,11-12,14H,1-3,5-6,9-10H2
InChIKeySHGGHOFXEYXSEW-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 54.95
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-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene
CID 63542179
1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene
CID 63015907
2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid
CID 61343576
1-chloro-2-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene
CID 63517970
1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol
CID 116756361
1-(2-chlorohexyl)-3-fluorobenzene
CID 63542141
1-(2-cyclopropyl-2-isocyanoethyl)-3-fluorobenzene
CID 176776905
1-(2-chloro-3-cyclobutylpropyl)-4-methylbenzene
CID 103166498
1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105095850
(2S)-2-(3-cyclohexylpropanoylamino)-3-(3-fluorophenyl)propanamide
CID 173142825
1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene
CID 112571036

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene?
The IUPAC name of 1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene (CID 63543352) is 1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene.
What is the SMILES notation for 1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene?
The canonical SMILES for 1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene is Fc1cccc(CC(Cl)CC2CCCCC2)c1.
What is the InChIKey of 1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene?
The InChIKey is SHGGHOFXEYXSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF/c16-14(9-12-5-2-1-3-6-12)10-13-7-4-8-15(17)11-13/h4,7-8,11-12,14H,1-3,5-6,9-10H2.
What are the key properties of 1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene?
1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene has a molecular weight of 254.78 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene is sourced from PubChem (CID 63543352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).