1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene

C15H20F2 — CID 174343858

IUPAC1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene
SMILESC/C=C(/C)C(F)(c1ccc(F)c(C)c1)C(C)C
InChIInChI=1S/C15H20F2/c1-6-12(5)15(17,10(2)3)13-7-8-14(16)11(4)9-13/h6-10H,1-5H3/b12-6-
InChIKeyNZYBBIPAZNGDDL-SDQBBNPISA-N
MW238.32 g/mol
LogP4.92
Rot. Bonds3

About 1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene

1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene (PubChem CID 174343858) has the molecular formula C15H20F2 and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene.

Molecular Properties

Compound Name1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene
PubChem CID174343858
Molecular FormulaC15H20F2
Molecular Weight238.32 g/mol
Exact Mass238.15
IUPAC Name1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene
SMILESC/C=C(/C)C(F)(c1ccc(F)c(C)c1)C(C)C
InChIInChI=1S/C15H20F2/c1-6-12(5)15(17,10(2)3)13-7-8-14(16)11(4)9-13/h6-10H,1-5H3/b12-6-
InChIKeyNZYBBIPAZNGDDL-SDQBBNPISA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 62786947
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine
CID 62791449
2-(4-fluoro-3-methylphenyl)-2-methylpropanal
CID 83683621
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
(4-fluoro-3-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751473
3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol
CID 55181933
3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830965
2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol
CID 58481777
(E)-4-(4-fluoro-3-methylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093183
1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 64918280

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene?
The IUPAC name of 1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene (CID 174343858) is 1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene.
What is the SMILES notation for 1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene?
The canonical SMILES for 1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene is C/C=C(/C)C(F)(c1ccc(F)c(C)c1)C(C)C.
What is the InChIKey of 1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene?
The InChIKey is NZYBBIPAZNGDDL-SDQBBNPISA-N. The full InChI is InChI=1S/C15H20F2/c1-6-12(5)15(17,10(2)3)13-7-8-14(16)11(4)9-13/h6-10H,1-5H3/b12-6-.
What are the key properties of 1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene?
1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene has a molecular weight of 238.32 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(Z)-3-fluoro-2,4-dimethylhex-4-en-3-yl]-2-methylbenzene is sourced from PubChem (CID 174343858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).