(2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine

C13H24FNO — CID 129268469

IUPAC(2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine
SMILESCC1CC[C@@H](N2C[C@@H](C)O[C@@H](C)C2)[C@@H](F)C1
InChIInChI=1S/C13H24FNO/c1-9-4-5-13(12(14)6-9)15-7-10(2)16-11(3)8-15/h9-13H,4-8H2,1-3H3/t9?,10-,11+,12-,13+/m0/s1
InChIKeySQFNRFBYRQYJDR-NTWDBFDFSA-N
MW229.34 g/mol
LogP2.62
Rot. Bonds1

About (2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine

(2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine (PubChem CID 129268469) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is (2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine
PubChem CID129268469
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name(2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine
SMILESCC1CC[C@@H](N2C[C@@H](C)O[C@@H](C)C2)[C@@H](F)C1
InChIInChI=1S/C13H24FNO/c1-9-4-5-13(12(14)6-9)15-7-10(2)16-11(3)8-15/h9-13H,4-8H2,1-3H3/t9?,10-,11+,12-,13+/m0/s1
InChIKeySQFNRFBYRQYJDR-NTWDBFDFSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine (CID 129268469) is (2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine is CC1CC[C@@H](N2C[C@@H](C)O[C@@H](C)C2)[C@@H](F)C1.
What is the InChIKey of (2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine?
The InChIKey is SQFNRFBYRQYJDR-NTWDBFDFSA-N. The full InChI is InChI=1S/C13H24FNO/c1-9-4-5-13(12(14)6-9)15-7-10(2)16-11(3)8-15/h9-13H,4-8H2,1-3H3/t9?,10-,11+,12-,13+/m0/s1.
What are the key properties of (2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine has a molecular weight of 229.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 129268469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).