1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene

C16H25F — CID 134457118

IUPAC1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene
SMILESCCCCCC(C)(CC)c1cc(C)ccc1F
InChIInChI=1S/C16H25F/c1-5-7-8-11-16(4,6-2)14-12-13(3)9-10-15(14)17/h9-10,12H,5-8,11H2,1-4H3
InChIKeyULRZVZUNFIAGPO-UHFFFAOYSA-N
MW236.37 g/mol
LogP5.38
Rot. Bonds6

About 1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene

1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene (PubChem CID 134457118) has the molecular formula C16H25F and a molecular weight of 236.37 g/mol. Its IUPAC name is 1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene.

Molecular Properties

Compound Name1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene
PubChem CID134457118
Molecular FormulaC16H25F
Molecular Weight236.37 g/mol
Exact Mass236.19
IUPAC Name1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene
SMILESCCCCCC(C)(CC)c1cc(C)ccc1F
InChIInChI=1S/C16H25F/c1-5-7-8-11-16(4,6-2)14-12-13(3)9-10-15(14)17/h9-10,12H,5-8,11H2,1-4H3
InChIKeyULRZVZUNFIAGPO-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.37
LogP ≤ 55.38
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-(2-fluoro-5-methylphenyl)butan-2-amine
CID 62791444
2-(2,5-dimethylphenyl)dodecan-2-amine
CID 63411602
2-(2-fluoro-5-methylphenyl)-2-methylbutanenitrile
CID 130133642
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993
2-tert-butyl-1,4-dimethylbenzene;pentane
CID 142249583
2-fluoro-1,4-dimethylbenzene;bis(nonane)
CID 143987706
2-(1,1-dimethoxyethyl)-1-fluoro-4-methylbenzene
CID 154930611
2-bromo-1-fluoro-4-methylbenzene;ethane;nonane
CID 143643780
2-(2-fluorophenyl)nonan-2-ol
CID 65144891
1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine
CID 62789032
N-butyl-2-fluoro-5-methylaniline
CID 28877664
1-methyl-4-(3-methylheptan-3-yl)-2-(trifluoromethyl)benzene
CID 146270322

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene?
The IUPAC name of 1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene (CID 134457118) is 1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene.
What is the SMILES notation for 1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene?
The canonical SMILES for 1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene is CCCCCC(C)(CC)c1cc(C)ccc1F.
What is the InChIKey of 1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene?
The InChIKey is ULRZVZUNFIAGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F/c1-5-7-8-11-16(4,6-2)14-12-13(3)9-10-15(14)17/h9-10,12H,5-8,11H2,1-4H3.
What are the key properties of 1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene?
1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene has a molecular weight of 236.37 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene is sourced from PubChem (CID 134457118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).