1-(4-fluoro-2-methylpentyl)-3-methylbenzene

C13H19F — CID 159383245

IUPAC1-(4-fluoro-2-methylpentyl)-3-methylbenzene
SMILESCc1cccc(CC(C)CC(C)F)c1
InChIInChI=1S/C13H19F/c1-10-5-4-6-13(8-10)9-11(2)7-12(3)14/h4-6,8,11-12H,7,9H2,1-3H3
InChIKeyJGHOGKIZZNIGKW-UHFFFAOYSA-N
MW194.29 g/mol
LogP3.92
Rot. Bonds4

About 1-(4-fluoro-2-methylpentyl)-3-methylbenzene

1-(4-fluoro-2-methylpentyl)-3-methylbenzene (PubChem CID 159383245) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylpentyl)-3-methylbenzene.

Molecular Properties

Compound Name1-(4-fluoro-2-methylpentyl)-3-methylbenzene
PubChem CID159383245
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name1-(4-fluoro-2-methylpentyl)-3-methylbenzene
SMILESCc1cccc(CC(C)CC(C)F)c1
InChIInChI=1S/C13H19F/c1-10-5-4-6-13(8-10)9-11(2)7-12(3)14/h4-6,8,11-12H,7,9H2,1-3H3
InChIKeyJGHOGKIZZNIGKW-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene
CID 159443260
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
4-methyl-5-(3-methylphenyl)pent-1-en-1-ol
CID 174388605
(3R)-3-methyl-4-(3-methylphenyl)butanoate
CID 6954497
1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 103759785
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
2-[1-bromo-2-(3-methylphenyl)ethyl]-3,5-dimethylthiophene
CID 81157821
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
1-(2-chlorobutyl)-3-methylbenzene
CID 63016853

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylpentyl)-3-methylbenzene?
The IUPAC name of 1-(4-fluoro-2-methylpentyl)-3-methylbenzene (CID 159383245) is 1-(4-fluoro-2-methylpentyl)-3-methylbenzene.
What is the SMILES notation for 1-(4-fluoro-2-methylpentyl)-3-methylbenzene?
The canonical SMILES for 1-(4-fluoro-2-methylpentyl)-3-methylbenzene is Cc1cccc(CC(C)CC(C)F)c1.
What is the InChIKey of 1-(4-fluoro-2-methylpentyl)-3-methylbenzene?
The InChIKey is JGHOGKIZZNIGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F/c1-10-5-4-6-13(8-10)9-11(2)7-12(3)14/h4-6,8,11-12H,7,9H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylpentyl)-3-methylbenzene?
1-(4-fluoro-2-methylpentyl)-3-methylbenzene has a molecular weight of 194.29 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylpentyl)-3-methylbenzene is sourced from PubChem (CID 159383245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).