(1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol

C9H15FO — CID 58349926

IUPAC(1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol
SMILESCC[C@H]1C=C[C@H](O)[C@H](F)[C@@H]1C
InChIInChI=1S/C9H15FO/c1-3-7-4-5-8(11)9(10)6(7)2/h4-9,11H,3H2,1-2H3/t6-,7+,8+,9-/m1/s1
InChIKeyPJHFYPKYSQRGMJ-RYPBNFRJSA-N
MW158.22 g/mol
LogP1.92
Rot. Bonds1

About (1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol

(1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol (PubChem CID 58349926) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol
PubChem CID58349926
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol
SMILESCC[C@H]1C=C[C@H](O)[C@H](F)[C@@H]1C
InChIInChI=1S/C9H15FO/c1-3-7-4-5-8(11)9(10)6(7)2/h4-9,11H,3H2,1-2H3/t6-,7+,8+,9-/m1/s1
InChIKeyPJHFYPKYSQRGMJ-RYPBNFRJSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol?
The IUPAC name of (1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol (CID 58349926) is (1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol is CC[C@H]1C=C[C@H](O)[C@H](F)[C@@H]1C.
What is the InChIKey of (1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol?
The InChIKey is PJHFYPKYSQRGMJ-RYPBNFRJSA-N. The full InChI is InChI=1S/C9H15FO/c1-3-7-4-5-8(11)9(10)6(7)2/h4-9,11H,3H2,1-2H3/t6-,7+,8+,9-/m1/s1.
What are the key properties of (1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol?
(1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol has a molecular weight of 158.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 58349926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).