2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene

C19H31F — CID 142979204

IUPAC2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene
SMILESC/C=C(\C)CC.CCC(C)CCc1ccc(C)cc1F
InChIInChI=1S/C13H19F.C6H12/c1-4-10(2)5-7-12-8-6-11(3)9-13(12)14;1-4-6(3)5-2/h6,8-10H,4-5,7H2,1-3H3;4H,5H2,1-3H3/b;6-4+
InChIKeyPAEVNCMZWRMBLU-DVXCEAISSA-N
MW278.45 g/mol
LogP6.48
Rot. Bonds5

About 2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene

2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene (PubChem CID 142979204) has the molecular formula C19H31F and a molecular weight of 278.45 g/mol. Its IUPAC name is 2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene.

Molecular Properties

Compound Name2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene
PubChem CID142979204
Molecular FormulaC19H31F
Molecular Weight278.45 g/mol
Exact Mass278.24
IUPAC Name2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene
SMILESC/C=C(\C)CC.CCC(C)CCc1ccc(C)cc1F
InChIInChI=1S/C13H19F.C6H12/c1-4-10(2)5-7-12-8-6-11(3)9-13(12)14;1-4-6(3)5-2/h6,8-10H,4-5,7H2,1-3H3;4H,5H2,1-3H3/b;6-4+
InChIKeyPAEVNCMZWRMBLU-DVXCEAISSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.45
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene 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-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol
CID 158597970
2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol
CID 83925713
4-(2-fluoro-4-methylphenyl)butan-2-one
CID 83696261
3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol
CID 129164549
2-fluoro-4-methyl-1-(2-methylpropyl)benzene
CID 59283432
4-[(3Z,5E)-9-ethyldodeca-1,3,5-trien-5-yl]-2-fluoro-1-(3-methylpentyl)benzene
CID 138672767
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol
CID 142361288
N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide
CID 142470252
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
4-(2-fluoro-4-methylphenyl)butanenitrile
CID 83925764
1-(2-fluoro-4-methylphenyl)-2-methylheptan-4-one
CID 83925746

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene?
The IUPAC name of 2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene (CID 142979204) is 2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene.
What is the SMILES notation for 2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene?
The canonical SMILES for 2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene is C/C=C(\C)CC.CCC(C)CCc1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene?
The InChIKey is PAEVNCMZWRMBLU-DVXCEAISSA-N. The full InChI is InChI=1S/C13H19F.C6H12/c1-4-10(2)5-7-12-8-6-11(3)9-13(12)14;1-4-6(3)5-2/h6,8-10H,4-5,7H2,1-3H3;4H,5H2,1-3H3/b;6-4+.
What are the key properties of 2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene?
2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene has a molecular weight of 278.45 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene is sourced from PubChem (CID 142979204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).