1-fluoro-2-methyl-4-(2-methylpentyl)benzene

C13H19F — CID 143267587

IUPAC1-fluoro-2-methyl-4-(2-methylpentyl)benzene
SMILESCCCC(C)Cc1ccc(F)c(C)c1
InChIInChI=1S/C13H19F/c1-4-5-10(2)8-12-6-7-13(14)11(3)9-12/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyKMXQMRNEDIXJEG-UHFFFAOYSA-N
MW194.29 g/mol
LogP4.11
Rot. Bonds4

About 1-fluoro-2-methyl-4-(2-methylpentyl)benzene

1-fluoro-2-methyl-4-(2-methylpentyl)benzene (PubChem CID 143267587) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 1-fluoro-2-methyl-4-(2-methylpentyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-methyl-4-(2-methylpentyl)benzene
PubChem CID143267587
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name1-fluoro-2-methyl-4-(2-methylpentyl)benzene
SMILESCCCC(C)Cc1ccc(F)c(C)c1
InChIInChI=1S/C13H19F/c1-4-5-10(2)8-12-6-7-13(14)11(3)9-12/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyKMXQMRNEDIXJEG-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(4-fluoro-3-methylphenyl)-3-methylbutan-1-amine
CID 83931066
1,2-difluoro-4-(2-methylpentyl)benzene
CID 143267689
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol
CID 82398888
(2S)-2-[(4-fluoro-3-methylphenyl)methyl]hexanoic acid
CID 159645635
2-[(4-fluoro-3-methylphenyl)methyl]propanedioic acid
CID 170895434
4-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62692850
1-(4-fluoro-3-methylphenyl)pentan-3-ol
CID 64515114
1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol
CID 64515839
5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 113340247
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-4-(2-methylpentyl)benzene?
The IUPAC name of 1-fluoro-2-methyl-4-(2-methylpentyl)benzene (CID 143267587) is 1-fluoro-2-methyl-4-(2-methylpentyl)benzene.
What is the SMILES notation for 1-fluoro-2-methyl-4-(2-methylpentyl)benzene?
The canonical SMILES for 1-fluoro-2-methyl-4-(2-methylpentyl)benzene is CCCC(C)Cc1ccc(F)c(C)c1.
What is the InChIKey of 1-fluoro-2-methyl-4-(2-methylpentyl)benzene?
The InChIKey is KMXQMRNEDIXJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F/c1-4-5-10(2)8-12-6-7-13(14)11(3)9-12/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 1-fluoro-2-methyl-4-(2-methylpentyl)benzene?
1-fluoro-2-methyl-4-(2-methylpentyl)benzene has a molecular weight of 194.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-4-(2-methylpentyl)benzene is sourced from PubChem (CID 143267587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).