1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene

C11H15F — CID 169145908

IUPAC1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene
SMILESC=C/C=C(/F)C1=C(C)C(C)CC1
InChIInChI=1S/C11H15F/c1-4-5-11(12)10-7-6-8(2)9(10)3/h4-5,8H,1,6-7H2,2-3H3/b11-5+
InChIKeyFPJIOGYWCWTYFJ-VZUCSPMQSA-N
MW166.24 g/mol
LogP3.77
Rot. Bonds2

About 1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene

1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene (PubChem CID 169145908) has the molecular formula C11H15F and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene.

Molecular Properties

Compound Name1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene
PubChem CID169145908
Molecular FormulaC11H15F
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene
SMILESC=C/C=C(/F)C1=C(C)C(C)CC1
InChIInChI=1S/C11H15F/c1-4-5-11(12)10-7-6-8(2)9(10)3/h4-5,8H,1,6-7H2,2-3H3/b11-5+
InChIKeyFPJIOGYWCWTYFJ-VZUCSPMQSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene
CID 176703832
N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine
CID 177053862
(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene
CID 170619549
1,2,3,6-tetramethylcyclohexene
CID 21243938
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene
CID 144706581
1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene
CID 163586300
ethane;4-ethyl-1-[(1E)-1-fluorobuta-1,3-dienyl]-2-methylbenzene
CID 142360129
1-[(Z)-but-2-en-2-yl]-2-ethyl-3-methylcyclopentene
CID 178164613
1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene
CID 54431612
[(3E)-hexa-3,5-dien-3-yl]cyclopropane
CID 13014702
1-methyl-2-methylidenecyclobutane
CID 20800914
(3E)-4-fluorohexa-1,3-diene
CID 88586520

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene?
The IUPAC name of 1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene (CID 169145908) is 1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene.
What is the SMILES notation for 1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene?
The canonical SMILES for 1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene is C=C/C=C(/F)C1=C(C)C(C)CC1.
What is the InChIKey of 1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene?
The InChIKey is FPJIOGYWCWTYFJ-VZUCSPMQSA-N. The full InChI is InChI=1S/C11H15F/c1-4-5-11(12)10-7-6-8(2)9(10)3/h4-5,8H,1,6-7H2,2-3H3/b11-5+.
What are the key properties of 1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene?
1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene has a molecular weight of 166.24 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene is sourced from PubChem (CID 169145908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).