1-(2,8-dimethylnonyl)-4-fluorobenzene

C17H27F — CID 162726877

IUPAC1-(2,8-dimethylnonyl)-4-fluorobenzene
SMILESCC(C)CCCCCC(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H27F/c1-14(2)7-5-4-6-8-15(3)13-16-9-11-17(18)12-10-16/h9-12,14-15H,4-8,13H2,1-3H3
InChIKeyRCCHRSYVQLMTOM-UHFFFAOYSA-N
MW250.40 g/mol
LogP5.61
Rot. Bonds8

About 1-(2,8-dimethylnonyl)-4-fluorobenzene

1-(2,8-dimethylnonyl)-4-fluorobenzene (PubChem CID 162726877) has the molecular formula C17H27F and a molecular weight of 250.40 g/mol. Its IUPAC name is 1-(2,8-dimethylnonyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(2,8-dimethylnonyl)-4-fluorobenzene
PubChem CID162726877
Molecular FormulaC17H27F
Molecular Weight250.40 g/mol
Exact Mass250.21
IUPAC Name1-(2,8-dimethylnonyl)-4-fluorobenzene
SMILESCC(C)CCCCCC(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H27F/c1-14(2)7-5-4-6-8-15(3)13-16-9-11-17(18)12-10-16/h9-12,14-15H,4-8,13H2,1-3H3
InChIKeyRCCHRSYVQLMTOM-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.40
LogP ≤ 55.61
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

1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane
CID 162726876
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384
4-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79003663
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
1-(3-chloro-2-methylpropyl)-4-fluorobenzene
CID 64666750
3-(4-fluorophenyl)-2-methylpropane-1-thiol
CID 83930913
1-(6-methylheptyl)-4-(2-methylpropyl)benzene
CID 140836779
N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine
CID 83169392
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
1-(4-fluorophenyl)octan-2-amine
CID 62600868
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605

Frequently Asked Questions

What is the IUPAC name of 1-(2,8-dimethylnonyl)-4-fluorobenzene?
The IUPAC name of 1-(2,8-dimethylnonyl)-4-fluorobenzene (CID 162726877) is 1-(2,8-dimethylnonyl)-4-fluorobenzene.
What is the SMILES notation for 1-(2,8-dimethylnonyl)-4-fluorobenzene?
The canonical SMILES for 1-(2,8-dimethylnonyl)-4-fluorobenzene is CC(C)CCCCCC(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-(2,8-dimethylnonyl)-4-fluorobenzene?
The InChIKey is RCCHRSYVQLMTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F/c1-14(2)7-5-4-6-8-15(3)13-16-9-11-17(18)12-10-16/h9-12,14-15H,4-8,13H2,1-3H3.
What are the key properties of 1-(2,8-dimethylnonyl)-4-fluorobenzene?
1-(2,8-dimethylnonyl)-4-fluorobenzene has a molecular weight of 250.40 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-dimethylnonyl)-4-fluorobenzene is sourced from PubChem (CID 162726877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).