1-fluoro-4-octan-4-ylbenzene

C14H21F — CID 70993007

IUPAC1-fluoro-4-octan-4-ylbenzene
SMILESCCCCC(CCC)c1ccc(F)cc1
InChIInChI=1S/C14H21F/c1-3-5-7-12(6-4-2)13-8-10-14(15)11-9-13/h8-12H,3-7H2,1-2H3
InChIKeyKGYDBRJFQBMYGP-UHFFFAOYSA-N
MW208.32 g/mol
LogP4.90
Rot. Bonds6

About 1-fluoro-4-octan-4-ylbenzene

1-fluoro-4-octan-4-ylbenzene (PubChem CID 70993007) has the molecular formula C14H21F and a molecular weight of 208.32 g/mol. Its IUPAC name is 1-fluoro-4-octan-4-ylbenzene.

Molecular Properties

Compound Name1-fluoro-4-octan-4-ylbenzene
PubChem CID70993007
Molecular FormulaC14H21F
Molecular Weight208.32 g/mol
Exact Mass208.16
IUPAC Name1-fluoro-4-octan-4-ylbenzene
SMILESCCCCC(CCC)c1ccc(F)cc1
InChIInChI=1S/C14H21F/c1-3-5-7-12(6-4-2)13-8-10-14(15)11-9-13/h8-12H,3-7H2,1-2H3
InChIKeyKGYDBRJFQBMYGP-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-fluorophenyl)hexan-1-amine
CID 79442321
1-(1-bromohexan-2-yl)-4-fluorobenzene
CID 79435039
2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456
2-(4-fluorophenyl)heptan-1-amine
CID 79442393
1-butan-2-yl-4-octan-4-ylbenzene
CID 123736908
1-(1-chlorododecan-2-yl)-4-fluorobenzene
CID 79437415
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
1-fluoro-4-(2-methylheptan-3-yl)benzene
CID 57227852
1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene
CID 59102457
1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene
CID 21304853
1-ethyl-4-undecan-4-ylbenzene
CID 14568440
(E)-2-acetyl-4,4-dimethylpent-2-enenitrile;ethane-1,2-diol;1-fluoro-4-octan-4-ylbenzene
CID 170620665

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-octan-4-ylbenzene?
The IUPAC name of 1-fluoro-4-octan-4-ylbenzene (CID 70993007) is 1-fluoro-4-octan-4-ylbenzene.
What is the SMILES notation for 1-fluoro-4-octan-4-ylbenzene?
The canonical SMILES for 1-fluoro-4-octan-4-ylbenzene is CCCCC(CCC)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-octan-4-ylbenzene?
The InChIKey is KGYDBRJFQBMYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F/c1-3-5-7-12(6-4-2)13-8-10-14(15)11-9-13/h8-12H,3-7H2,1-2H3.
What are the key properties of 1-fluoro-4-octan-4-ylbenzene?
1-fluoro-4-octan-4-ylbenzene has a molecular weight of 208.32 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-octan-4-ylbenzene is sourced from PubChem (CID 70993007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).