(2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene

C10H11F — CID 174150100

IUPAC(2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene
SMILESCC1=CC2CC2/C=C(/F)C=C1
InChIInChI=1S/C10H11F/c1-7-2-3-10(11)6-9-5-8(9)4-7/h2-4,6,8-9H,5H2,1H3/b3-2?,7-4?,10-6+
InChIKeyPHRIUHWIPJJTNH-JGRYYUGRSA-N
MW150.20 g/mol
LogP2.99
Rot. Bonds

About (2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene

(2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene (PubChem CID 174150100) has the molecular formula C10H11F and a molecular weight of 150.20 g/mol. Its IUPAC name is (2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene.

Molecular Properties

Compound Name(2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene
PubChem CID174150100
Molecular FormulaC10H11F
Molecular Weight150.20 g/mol
Exact Mass150.08
IUPAC Name(2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene
SMILESCC1=CC2CC2/C=C(/F)C=C1
InChIInChI=1S/C10H11F/c1-7-2-3-10(11)6-9-5-8(9)4-7/h2-4,6,8-9H,5H2,1H3/b3-2?,7-4?,10-6+
InChIKeyPHRIUHWIPJJTNH-JGRYYUGRSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene?
The IUPAC name of (2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene (CID 174150100) is (2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene.
What is the SMILES notation for (2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene?
The canonical SMILES for (2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene is CC1=CC2CC2/C=C(/F)C=C1.
What is the InChIKey of (2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene?
The InChIKey is PHRIUHWIPJJTNH-JGRYYUGRSA-N. The full InChI is InChI=1S/C10H11F/c1-7-2-3-10(11)6-9-5-8(9)4-7/h2-4,6,8-9H,5H2,1H3/b3-2?,7-4?,10-6+.
What are the key properties of (2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene?
(2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene has a molecular weight of 150.20 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene is sourced from PubChem (CID 174150100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).