1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene

C17H25F — CID 54167085

IUPAC1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene
SMILESCC1CCC(CCCCc2cccc(F)c2)CC1
InChIInChI=1S/C17H25F/c1-14-9-11-15(12-10-14)5-2-3-6-16-7-4-8-17(18)13-16/h4,7-8,13-15H,2-3,5-6,9-12H2,1H3
InChIKeyOSKCOCHTJAVGKP-UHFFFAOYSA-N
MW248.38 g/mol
LogP5.36
Rot. Bonds5

About 1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene

1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene (PubChem CID 54167085) has the molecular formula C17H25F and a molecular weight of 248.38 g/mol. Its IUPAC name is 1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene
PubChem CID54167085
Molecular FormulaC17H25F
Molecular Weight248.38 g/mol
Exact Mass248.19
IUPAC Name1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene
SMILESCC1CCC(CCCCc2cccc(F)c2)CC1
InChIInChI=1S/C17H25F/c1-14-9-11-15(12-10-14)5-2-3-6-16-7-4-8-17(18)13-16/h4,7-8,13-15H,2-3,5-6,9-12H2,1H3
InChIKeyOSKCOCHTJAVGKP-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.38
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
1-fluoro-3-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 18720800
1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene
CID 59545688
3-[2-(4-methylcyclohexyl)ethyl]aniline
CID 86029509
2-[3-(4-methylcyclohexyl)propyl]naphthalene
CID 59545635
4-cyclopropylbutylbenzene
CID 10261592
acetylene;1-butyl-3-fluorobenzene
CID 142913636
1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene
CID 70178862
5-cyclopropylpentylbenzene
CID 91089836
N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
CID 115890781
1-(4-cyclopropylbutyl)-3-phenoxybenzene
CID 150391471
1-(5-cyclohexylpentyl)-3-ethylbenzene
CID 91406519

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene?
The IUPAC name of 1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene (CID 54167085) is 1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene.
What is the SMILES notation for 1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene?
The canonical SMILES for 1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene is CC1CCC(CCCCc2cccc(F)c2)CC1.
What is the InChIKey of 1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene?
The InChIKey is OSKCOCHTJAVGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F/c1-14-9-11-15(12-10-14)5-2-3-6-16-7-4-8-17(18)13-16/h4,7-8,13-15H,2-3,5-6,9-12H2,1H3.
What are the key properties of 1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene?
1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene has a molecular weight of 248.38 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene is sourced from PubChem (CID 54167085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).