1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene

C11H17F — CID 170100391

IUPAC1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene
SMILESCC1=C(/C(C)=C(\C)F)CCCC1
InChIInChI=1S/C11H17F/c1-8-6-4-5-7-11(8)9(2)10(3)12/h4-7H2,1-3H3/b10-9+
InChIKeyVYRZAJQHMHXYGX-MDZDMXLPSA-N
MW168.25 g/mol
LogP4.14
Rot. Bonds1

About 1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene

1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene (PubChem CID 170100391) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is 1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene.

Molecular Properties

Compound Name1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene
PubChem CID170100391
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene
SMILESCC1=C(/C(C)=C(\C)F)CCCC1
InChIInChI=1S/C11H17F/c1-8-6-4-5-7-11(8)9(2)10(3)12/h4-7H2,1-3H3/b10-9+
InChIKeyVYRZAJQHMHXYGX-MDZDMXLPSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene?
The IUPAC name of 1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene (CID 170100391) is 1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene.
What is the SMILES notation for 1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene?
The canonical SMILES for 1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene is CC1=C(/C(C)=C(\C)F)CCCC1.
What is the InChIKey of 1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene?
The InChIKey is VYRZAJQHMHXYGX-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H17F/c1-8-6-4-5-7-11(8)9(2)10(3)12/h4-7H2,1-3H3/b10-9+.
What are the key properties of 1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene?
1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene has a molecular weight of 168.25 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene is sourced from PubChem (CID 170100391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).