1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene

C17H25F — CID 163864644

IUPAC1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene
SMILESCCCCC1CCC(C)(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25F/c1-3-4-5-14-10-12-17(2,13-11-14)15-6-8-16(18)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyPFPJUVVKFXGMAL-UHFFFAOYSA-N
MW248.38 g/mol
LogP5.46
Rot. Bonds4

About 1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene

1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene (PubChem CID 163864644) has the molecular formula C17H25F and a molecular weight of 248.38 g/mol. Its IUPAC name is 1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene
PubChem CID163864644
Molecular FormulaC17H25F
Molecular Weight248.38 g/mol
Exact Mass248.19
IUPAC Name1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene
SMILESCCCCC1CCC(C)(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25F/c1-3-4-5-14-10-12-17(2,13-11-14)15-6-8-16(18)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyPFPJUVVKFXGMAL-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.38
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene
CID 22392468
1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
CID 173416825
4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol
CID 23169438
azane;1-fluoro-4-(1-methylcyclopentyl)benzene
CID 174449315
1-fluoro-3-[1-(3-fluorophenyl)-4-heptylcyclohexyl]benzene
CID 22420527
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-[[1-(bromomethyl)-4-butylcyclohexyl]methyl]-2,4-difluorobenzene
CID 66050829
4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 18596975
4-butyl-1-(4-pentylphenyl)cyclohexane-1-carbonitrile
CID 18596983
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-fluorophenyl)-1,3-dioxane
CID 19738699
[1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139782194

Frequently Asked Questions

What is the IUPAC name of 1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene?
The IUPAC name of 1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene (CID 163864644) is 1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene.
What is the SMILES notation for 1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene?
The canonical SMILES for 1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene is CCCCC1CCC(C)(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene?
The InChIKey is PFPJUVVKFXGMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F/c1-3-4-5-14-10-12-17(2,13-11-14)15-6-8-16(18)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3.
What are the key properties of 1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene?
1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene has a molecular weight of 248.38 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene is sourced from PubChem (CID 163864644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).