2-fluoro-1-heptyl-4-methylbenzene

C14H21F — CID 58718848

IUPAC2-fluoro-1-heptyl-4-methylbenzene
SMILESCCCCCCCc1ccc(C)cc1F
InChIInChI=1S/C14H21F/c1-3-4-5-6-7-8-13-10-9-12(2)11-14(13)15/h9-11H,3-8H2,1-2H3
InChIKeyLUIIARWAKSTWJB-UHFFFAOYSA-N
MW208.32 g/mol
LogP4.65
Rot. Bonds6

About 2-fluoro-1-heptyl-4-methylbenzene

2-fluoro-1-heptyl-4-methylbenzene (PubChem CID 58718848) has the molecular formula C14H21F and a molecular weight of 208.32 g/mol. Its IUPAC name is 2-fluoro-1-heptyl-4-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-heptyl-4-methylbenzene
PubChem CID58718848
Molecular FormulaC14H21F
Molecular Weight208.32 g/mol
Exact Mass208.16
IUPAC Name2-fluoro-1-heptyl-4-methylbenzene
SMILESCCCCCCCc1ccc(C)cc1F
InChIInChI=1S/C14H21F/c1-3-4-5-6-7-8-13-10-9-12(2)11-14(13)15/h9-11H,3-8H2,1-2H3
InChIKeyLUIIARWAKSTWJB-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 54.65
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-difluoro-1-pentylbenzene
CID 20770613
3-fluoro-6-methyl-2-pentylnaphthalene
CID 58718820
2-ethyl-1-hexyl-4-methylbenzene
CID 155704456
2-fluoro-1,4-dimethylbenzene;bis(nonane)
CID 143987706
(3-fluoro-4-nonylphenyl)methanol
CID 174919502
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
(3-fluoro-4-nonylphenyl)boronic acid
CID 66879918
4-(2-fluoro-4-methylphenyl)butanenitrile
CID 83925764
2-fluoro-4-[2-[3-fluoro-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-pentylbenzene
CID 22112294
2-fluoro-1-[2-(3-fluoro-4-pentylphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene
CID 22112482
1-fluoro-2-heptylbenzene
CID 20721019
2-fluoro-4-nitro-1-tetradecylbenzene
CID 141232177

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-heptyl-4-methylbenzene?
The IUPAC name of 2-fluoro-1-heptyl-4-methylbenzene (CID 58718848) is 2-fluoro-1-heptyl-4-methylbenzene.
What is the SMILES notation for 2-fluoro-1-heptyl-4-methylbenzene?
The canonical SMILES for 2-fluoro-1-heptyl-4-methylbenzene is CCCCCCCc1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-1-heptyl-4-methylbenzene?
The InChIKey is LUIIARWAKSTWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F/c1-3-4-5-6-7-8-13-10-9-12(2)11-14(13)15/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-fluoro-1-heptyl-4-methylbenzene?
2-fluoro-1-heptyl-4-methylbenzene has a molecular weight of 208.32 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-heptyl-4-methylbenzene is sourced from PubChem (CID 58718848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).