6-fluoro-3-methylcyclohexa-1,3-dien-1-ol

C7H9FO — CID 126627063

IUPAC6-fluoro-3-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CCC(F)C(O)=C1
InChIInChI=1S/C7H9FO/c1-5-2-3-6(8)7(9)4-5/h2,4,6,9H,3H2,1H3
InChIKeyBUBDRUKZAAUEDE-UHFFFAOYSA-N
MW128.15 g/mol
LogP2.12
Rot. Bonds

About 6-fluoro-3-methylcyclohexa-1,3-dien-1-ol

6-fluoro-3-methylcyclohexa-1,3-dien-1-ol (PubChem CID 126627063) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is 6-fluoro-3-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-fluoro-3-methylcyclohexa-1,3-dien-1-ol
PubChem CID126627063
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name6-fluoro-3-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CCC(F)C(O)=C1
InChIInChI=1S/C7H9FO/c1-5-2-3-6(8)7(9)4-5/h2,4,6,9H,3H2,1H3
InChIKeyBUBDRUKZAAUEDE-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-fluoro-3-methylcyclohexa-1,3-dien-1-ol (CID 126627063) is 6-fluoro-3-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-fluoro-3-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-fluoro-3-methylcyclohexa-1,3-dien-1-ol is CC1=CCC(F)C(O)=C1.
What is the InChIKey of 6-fluoro-3-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is BUBDRUKZAAUEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO/c1-5-2-3-6(8)7(9)4-5/h2,4,6,9H,3H2,1H3.
What are the key properties of 6-fluoro-3-methylcyclohexa-1,3-dien-1-ol?
6-fluoro-3-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 128.15 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 126627063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).