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

C7H9FO — CID 154518719

IUPAC2-fluoro-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC1CC=CC(F)=C1O
InChIInChI=1S/C7H9FO/c1-5-3-2-4-6(8)7(5)9/h2,4-5,9H,3H2,1H3
InChIKeyNVXCHNJLHMYWBP-UHFFFAOYSA-N
MW128.15 g/mol
LogP2.32
Rot. Bonds

About 2-fluoro-6-methylcyclohexa-1,3-dien-1-ol

2-fluoro-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 154518719) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is 2-fluoro-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-fluoro-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID154518719
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name2-fluoro-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC1CC=CC(F)=C1O
InChIInChI=1S/C7H9FO/c1-5-3-2-4-6(8)7(5)9/h2,4-5,9H,3H2,1H3
InChIKeyNVXCHNJLHMYWBP-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-fluoro-6-methylcyclohexa-1,3-dien-1-ol (CID 154518719) is 2-fluoro-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-fluoro-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-fluoro-6-methylcyclohexa-1,3-dien-1-ol is CC1CC=CC(F)=C1O.
What is the InChIKey of 2-fluoro-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is NVXCHNJLHMYWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO/c1-5-3-2-4-6(8)7(5)9/h2,4-5,9H,3H2,1H3.
What are the key properties of 2-fluoro-6-methylcyclohexa-1,3-dien-1-ol?
2-fluoro-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 128.15 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 154518719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).