(5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol

C7H9FO — CID 126706777

IUPAC(5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=C(O)C[C@H](F)C=C1
InChIInChI=1S/C7H9FO/c1-5-2-3-6(8)4-7(5)9/h2-3,6,9H,4H2,1H3/t6-/m1/s1
InChIKeyADBFQBVRDFQPDM-ZCFIWIBFSA-N
MW128.15 g/mol
LogP2.12
Rot. Bonds

About (5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol

(5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol (PubChem CID 126706777) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is (5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name(5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol
PubChem CID126706777
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name(5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=C(O)C[C@H](F)C=C1
InChIInChI=1S/C7H9FO/c1-5-2-3-6(8)4-7(5)9/h2-3,6,9H,4H2,1H3/t6-/m1/s1
InChIKeyADBFQBVRDFQPDM-ZCFIWIBFSA-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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Related Compounds

Cyclohexadienol
CID 12682337
2,6-Dimethylcresol
CID 69992119
3h-Naphthol
CID 101083012
3-(Trifluoromethyl)cyclohexa-1,3-dien-1-ol
CID 17935665
2-Fluorocyclohexa-1,3-dien-1-ol
CID 19379545
2,6-Difluoro-4-methylcyclohexa-1,3-dien-1-ol
CID 67121662
5-Fluorocyclohexa-1,3-dien-1-ol
CID 68200870
1-Fluoro-3-methylcyclohexa-2,4-dien-1-ol
CID 68972362
3-Fluorocyclohexa-1,3-dien-1-ol
CID 70315520
2-Cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol
CID 89061877
5-Fluoro-2-methylcyclohexa-1,3-dien-1-ol
CID 89265183
4-Fluoro-6-methylcyclohexa-1,5-dien-1-ol
CID 89265195

Frequently Asked Questions

What is the IUPAC name of (5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of (5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol (CID 126706777) is (5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for (5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for (5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol is CC1=C(O)C[C@H](F)C=C1.
What is the InChIKey of (5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is ADBFQBVRDFQPDM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9FO/c1-5-2-3-6(8)4-7(5)9/h2-3,6,9H,4H2,1H3/t6-/m1/s1.
What are the key properties of (5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol?
(5S)-5-fluoro-2-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 (5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 126706777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).