6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol

C9H13FO — CID 70355498

IUPAC6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol
SMILESCCC1C(O)=C(F)C=CC1C
InChIInChI=1S/C9H13FO/c1-3-7-6(2)4-5-8(10)9(7)11/h4-7,11H,3H2,1-2H3
InChIKeyABFYZWVMLVHSHX-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.96
Rot. Bonds1

About 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol

6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol (PubChem CID 70355498) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol
PubChem CID70355498
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol
SMILESCCC1C(O)=C(F)C=CC1C
InChIInChI=1S/C9H13FO/c1-3-7-6(2)4-5-8(10)9(7)11/h4-7,11H,3H2,1-2H3
InChIKeyABFYZWVMLVHSHX-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol (CID 70355498) is 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol is CCC1C(O)=C(F)C=CC1C.
What is the InChIKey of 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is ABFYZWVMLVHSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-3-7-6(2)4-5-8(10)9(7)11/h4-7,11H,3H2,1-2H3.
What are the key properties of 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol?
6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 156.20 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 70355498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).