1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene

C14H20F2 — CID 123274263

IUPAC1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene
SMILESCCC(CC)CCc1ccc(C)c(F)c1F
InChIInChI=1S/C14H20F2/c1-4-11(5-2)7-9-12-8-6-10(3)13(15)14(12)16/h6,8,11H,4-5,7,9H2,1-3H3
InChIKeyYNOSHTSKJFZSCP-UHFFFAOYSA-N
MW226.31 g/mol
LogP4.64
Rot. Bonds5

About 1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene

1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene (PubChem CID 123274263) has the molecular formula C14H20F2 and a molecular weight of 226.31 g/mol. Its IUPAC name is 1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene
PubChem CID123274263
Molecular FormulaC14H20F2
Molecular Weight226.31 g/mol
Exact Mass226.15
IUPAC Name1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene
SMILESCCC(CC)CCc1ccc(C)c(F)c1F
InChIInChI=1S/C14H20F2/c1-4-11(5-2)7-9-12-8-6-10(3)13(15)14(12)16/h6,8,11H,4-5,7,9H2,1-3H3
InChIKeyYNOSHTSKJFZSCP-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3-difluoro-4-methylphenyl)butan-2-amine
CID 107514336
1-(2,3-difluoro-4-methylphenyl)hexan-3-ol
CID 107514399
1-(3-chloropentyl)-2,3,4-trifluorobenzene
CID 64509327
3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine
CID 107514342
1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine
CID 107514365
1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine
CID 107514366
1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-3-one
CID 107514321
1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene
CID 167020385
2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene
CID 155200965
2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene
CID 118861553
3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene
CID 130258085
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene
CID 146536354

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene (CID 123274263) is 1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene is CCC(CC)CCc1ccc(C)c(F)c1F.
What is the InChIKey of 1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene?
The InChIKey is YNOSHTSKJFZSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2/c1-4-11(5-2)7-9-12-8-6-10(3)13(15)14(12)16/h6,8,11H,4-5,7,9H2,1-3H3.
What are the key properties of 1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene?
1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene has a molecular weight of 226.31 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 123274263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).