1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene

C18H21F — CID 59102457

IUPAC1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene
SMILESCCCCC(c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H21F/c1-3-4-5-18(15-8-6-14(2)7-9-15)16-10-12-17(19)13-11-16/h6-13,18H,3-5H2,1-2H3
InChIKeyVIWPVMLQQVITDS-UHFFFAOYSA-N
MW256.36 g/mol
LogP5.46
Rot. Bonds5

About 1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene

1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene (PubChem CID 59102457) has the molecular formula C18H21F and a molecular weight of 256.36 g/mol. Its IUPAC name is 1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene
PubChem CID59102457
Molecular FormulaC18H21F
Molecular Weight256.36 g/mol
Exact Mass256.16
IUPAC Name1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene
SMILESCCCCC(c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H21F/c1-3-4-5-18(15-8-6-14(2)7-9-15)16-10-12-17(19)13-11-16/h6-13,18H,3-5H2,1-2H3
InChIKeyVIWPVMLQQVITDS-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.36
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[1-(4-fluorophenyl)butyl]benzene
CID 143326829
1-fluoro-4-octan-4-ylbenzene
CID 70993007
1-bromo-4-[1-(4-bromophenyl)pentyl]benzene
CID 154634126
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
1-fluoro-4-(2-methylheptan-3-yl)benzene
CID 57227852
6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one
CID 58378560
2-(4-fluorophenyl)hexan-1-amine
CID 79442321
1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene
CID 21304853
1-(1-bromohexan-2-yl)-4-fluorobenzene
CID 79435039
1-[5,5-bis(4-fluorophenyl)pentyl]-3-(4-methylphenyl)urea
CID 159537469
4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline
CID 22919933
1-(4-fluorophenyl)pentylhydrazine
CID 53402329

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene?
The IUPAC name of 1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene (CID 59102457) is 1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene.
What is the SMILES notation for 1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene?
The canonical SMILES for 1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene is CCCCC(c1ccc(C)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene?
The InChIKey is VIWPVMLQQVITDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F/c1-3-4-5-18(15-8-6-14(2)7-9-15)16-10-12-17(19)13-11-16/h6-13,18H,3-5H2,1-2H3.
What are the key properties of 1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene?
1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene has a molecular weight of 256.36 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene is sourced from PubChem (CID 59102457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).