[(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone

C18H21FO2 — CID 175722270

IUPAC[(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)C1CC=CC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C18H21FO2/c19-15-7-5-13(6-8-15)16-3-1-2-4-17(16)18(20)14-9-11-21-12-10-14/h1-2,5-8,14,16-17H,3-4,9-12H2/t16-,17?/m1/s1
InChIKeyHKEFNUWKHFVUFG-TZHYSIJRSA-N
MW288.36 g/mol
LogP3.87
Rot. Bonds3

About [(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone

[(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone (PubChem CID 175722270) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is [(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone
PubChem CID175722270
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name[(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)C1CC=CC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C18H21FO2/c19-15-7-5-13(6-8-15)16-3-1-2-4-17(16)18(20)14-9-11-21-12-10-14/h1-2,5-8,14,16-17H,3-4,9-12H2/t16-,17?/m1/s1
InChIKeyHKEFNUWKHFVUFG-TZHYSIJRSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone (CID 175722270) is [(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)C1CC=CC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of [(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone?
The InChIKey is HKEFNUWKHFVUFG-TZHYSIJRSA-N. The full InChI is InChI=1S/C18H21FO2/c19-15-7-5-13(6-8-15)16-3-1-2-4-17(16)18(20)14-9-11-21-12-10-14/h1-2,5-8,14,16-17H,3-4,9-12H2/t16-,17?/m1/s1.
What are the key properties of [(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone?
[(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone has a molecular weight of 288.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-(4-fluorophenyl)cyclohex-3-en-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 175722270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).