1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene

C15H21F — CID 170369205

IUPAC1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene
SMILESC=C(C)C(F)(CC)C(C)c1ccc(C)cc1
InChIInChI=1S/C15H21F/c1-6-15(16,11(2)3)13(5)14-9-7-12(4)8-10-14/h7-10,13H,2,6H2,1,3-5H3
InChIKeyLJTRXFZTWZAZDG-UHFFFAOYSA-N
MW220.33 g/mol
LogP4.79
Rot. Bonds4

About 1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene

1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene (PubChem CID 170369205) has the molecular formula C15H21F and a molecular weight of 220.33 g/mol. Its IUPAC name is 1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene.

Molecular Properties

Compound Name1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene
PubChem CID170369205
Molecular FormulaC15H21F
Molecular Weight220.33 g/mol
Exact Mass220.16
IUPAC Name1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene
SMILESC=C(C)C(F)(CC)C(C)c1ccc(C)cc1
InChIInChI=1S/C15H21F/c1-6-15(16,11(2)3)13(5)14-9-7-12(4)8-10-14/h7-10,13H,2,6H2,1,3-5H3
InChIKeyLJTRXFZTWZAZDG-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-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

1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene
CID 86327346
1-methyl-4-[(2S)-4-methylpent-4-en-2-yl]benzene
CID 122401758
1-[(2S)-3,3-dimethylbutan-2-yl]-4-methylbenzene
CID 58051727
(3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine
CID 142994215
butan-2-one;1-methyl-4-propan-2-ylbenzene
CID 163264285
2-methyl-3-(4-methylphenyl)butan-2-amine
CID 137466082
2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
CID 76974190
(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
CID 171250401
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
[5-ethoxy-4-methylidene-3-(4-methylphenyl)hex-5-en-2-yl]azanium
CID 135039471
acetic acid;(1S)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 91361825
1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene
CID 145215069

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene?
The IUPAC name of 1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene (CID 170369205) is 1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene.
What is the SMILES notation for 1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene?
The canonical SMILES for 1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene is C=C(C)C(F)(CC)C(C)c1ccc(C)cc1.
What is the InChIKey of 1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene?
The InChIKey is LJTRXFZTWZAZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F/c1-6-15(16,11(2)3)13(5)14-9-7-12(4)8-10-14/h7-10,13H,2,6H2,1,3-5H3.
What are the key properties of 1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene?
1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene has a molecular weight of 220.33 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-3-fluoro-4-methylpent-4-en-2-yl)-4-methylbenzene is sourced from PubChem (CID 170369205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).