2-cyclobutyl-1-fluoro-4-pentylbenzene

C15H21F — CID 143474890

IUPAC2-cyclobutyl-1-fluoro-4-pentylbenzene
SMILESCCCCCc1ccc(F)c(C2CCC2)c1
InChIInChI=1S/C15H21F/c1-2-3-4-6-12-9-10-15(16)14(11-12)13-7-5-8-13/h9-11,13H,2-8H2,1H3
InChIKeyMBCNFPJURZZJFI-UHFFFAOYSA-N
MW220.33 g/mol
LogP4.83
Rot. Bonds5

About 2-cyclobutyl-1-fluoro-4-pentylbenzene

2-cyclobutyl-1-fluoro-4-pentylbenzene (PubChem CID 143474890) has the molecular formula C15H21F and a molecular weight of 220.33 g/mol. Its IUPAC name is 2-cyclobutyl-1-fluoro-4-pentylbenzene.

Molecular Properties

Compound Name2-cyclobutyl-1-fluoro-4-pentylbenzene
PubChem CID143474890
Molecular FormulaC15H21F
Molecular Weight220.33 g/mol
Exact Mass220.16
IUPAC Name2-cyclobutyl-1-fluoro-4-pentylbenzene
SMILESCCCCCc1ccc(F)c(C2CCC2)c1
InChIInChI=1S/C15H21F/c1-2-3-4-6-12-9-10-15(16)14(11-12)13-7-5-8-13/h9-11,13H,2-8H2,1H3
InChIKeyMBCNFPJURZZJFI-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 54.83
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

2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene
CID 175040539
2-bromo-1-fluoro-4-pentylbenzene
CID 155293840
2-bromo-1-fluoro-4-undecylbenzene
CID 10958447
2-fluoro-4-pentylaniline
CID 146198864
2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethyl]-4-propylbenzene
CID 58141062
2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol
CID 23127930
(1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 10726726
2-cyclohexyl-4-decyl-6-methylphenol
CID 174344111
2-cyclopentyl-4-propylphenol
CID 70792894
3-(4-cyclohexyl-3-fluorophenyl)propan-1-ol
CID 117345509
2-methyl-4-nonyl-1-(4-nonylcyclohexyl)benzene
CID 19008146
4-cyclohexyl-2-fluoro-1-pentylbenzene
CID 59931429

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-fluoro-4-pentylbenzene?
The IUPAC name of 2-cyclobutyl-1-fluoro-4-pentylbenzene (CID 143474890) is 2-cyclobutyl-1-fluoro-4-pentylbenzene.
What is the SMILES notation for 2-cyclobutyl-1-fluoro-4-pentylbenzene?
The canonical SMILES for 2-cyclobutyl-1-fluoro-4-pentylbenzene is CCCCCc1ccc(F)c(C2CCC2)c1.
What is the InChIKey of 2-cyclobutyl-1-fluoro-4-pentylbenzene?
The InChIKey is MBCNFPJURZZJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F/c1-2-3-4-6-12-9-10-15(16)14(11-12)13-7-5-8-13/h9-11,13H,2-8H2,1H3.
What are the key properties of 2-cyclobutyl-1-fluoro-4-pentylbenzene?
2-cyclobutyl-1-fluoro-4-pentylbenzene has a molecular weight of 220.33 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-fluoro-4-pentylbenzene is sourced from PubChem (CID 143474890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).