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

C19H33F — CID 162726876

IUPAC1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane
SMILESCC.CC(C)CCCCCC(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H27F.C2H6/c1-14(2)7-5-4-6-8-15(3)13-16-9-11-17(18)12-10-16;1-2/h9-12,14-15H,4-8,13H2,1-3H3;1-2H3
InChIKeyDAQZPQQATVXKNS-UHFFFAOYSA-N
MW280.47 g/mol
LogP6.64
Rot. Bonds8

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

1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane (PubChem CID 162726876) has the molecular formula C19H33F and a molecular weight of 280.47 g/mol. Its IUPAC name is 1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane.

Molecular Properties

Compound Name1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane
PubChem CID162726876
Molecular FormulaC19H33F
Molecular Weight280.47 g/mol
Exact Mass280.26
IUPAC Name1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane
SMILESCC.CC(C)CCCCCC(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H27F.C2H6/c1-14(2)7-5-4-6-8-15(3)13-16-9-11-17(18)12-10-16;1-2/h9-12,14-15H,4-8,13H2,1-3H3;1-2H3
InChIKeyDAQZPQQATVXKNS-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.47
LogP ≤ 56.64
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
CID 162726877
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
ethane;2-methylheptylbenzene
CID 142204161

Frequently Asked Questions

What is the IUPAC name of 1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane?
The IUPAC name of 1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane (CID 162726876) is 1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane.
What is the SMILES notation for 1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane?
The canonical SMILES for 1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane is CC.CC(C)CCCCCC(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane?
The InChIKey is DAQZPQQATVXKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F.C2H6/c1-14(2)7-5-4-6-8-15(3)13-16-9-11-17(18)12-10-16;1-2/h9-12,14-15H,4-8,13H2,1-3H3;1-2H3.
What are the key properties of 1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane?
1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane has a molecular weight of 280.47 g/mol, XLogP of 6.64, 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;ethane is sourced from PubChem (CID 162726876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).