1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene

C14H19F — CID 83931670

IUPAC1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene
SMILESC/C=C\C(C)Cc1cc(C)c(C)cc1F
InChIInChI=1S/C14H19F/c1-5-6-10(2)7-13-8-11(3)12(4)9-14(13)15/h5-6,8-10H,7H2,1-4H3/b6-5-
InChIKeyNXUNFRBIPQMNLA-WAYWQWQTSA-N
MW206.30 g/mol
LogP4.20
Rot. Bonds3

About 1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene

1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene (PubChem CID 83931670) has the molecular formula C14H19F and a molecular weight of 206.30 g/mol. Its IUPAC name is 1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene
PubChem CID83931670
Molecular FormulaC14H19F
Molecular Weight206.30 g/mol
Exact Mass206.15
IUPAC Name1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene
SMILESC/C=C\C(C)Cc1cc(C)c(C)cc1F
InChIInChI=1S/C14H19F/c1-5-6-10(2)7-13-8-11(3)12(4)9-14(13)15/h5-6,8-10H,7H2,1-4H3/b6-5-
InChIKeyNXUNFRBIPQMNLA-WAYWQWQTSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 54.20
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

3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol
CID 83923372
1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene
CID 134572668
1-fluoro-4,5-dimethyl-2-(2-methylhex-3-ynyl)benzene
CID 83931656
1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene
CID 118836013
1-(5-chloro-2-fluoro-4-methylphenyl)propan-2-amine
CID 117290515
1-(5-bromo-2-fluoro-4-methylphenyl)propan-2-ol
CID 117369420
4-(2-aminopropyl)-5-fluoro-2-methylphenol
CID 117279524
2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene
CID 83937167
methyl 2-(dimethylamino)-3-(2-fluoro-4,5-dimethylphenyl)propanoate
CID 58382788
1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene
CID 83943473
1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene
CID 83934178
1-(2-chloropropyl)-2,4,5-trimethylbenzene
CID 163503442

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene?
The IUPAC name of 1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene (CID 83931670) is 1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene.
What is the SMILES notation for 1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene?
The canonical SMILES for 1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene is C/C=C\C(C)Cc1cc(C)c(C)cc1F.
What is the InChIKey of 1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene?
The InChIKey is NXUNFRBIPQMNLA-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H19F/c1-5-6-10(2)7-13-8-11(3)12(4)9-14(13)15/h5-6,8-10H,7H2,1-4H3/b6-5-.
What are the key properties of 1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene?
1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene has a molecular weight of 206.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene is sourced from PubChem (CID 83931670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).