4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine

C11H20FNO — CID 176992500

IUPAC4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine
SMILESC[C@@H]1CC[C@@H](N2CCOCC2)C[C@@H]1F
InChIInChI=1S/C11H20FNO/c1-9-2-3-10(8-11(9)12)13-4-6-14-7-5-13/h9-11H,2-8H2,1H3/t9-,10-,11+/m1/s1
InChIKeyOOEUFHQLGSCAGK-MXWKQRLJSA-N
MW201.28 g/mol
LogP1.85
Rot. Bonds1

About 4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine

4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine (PubChem CID 176992500) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine.

Molecular Properties

Compound Name4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine
PubChem CID176992500
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine
SMILESC[C@@H]1CC[C@@H](N2CCOCC2)C[C@@H]1F
InChIInChI=1S/C11H20FNO/c1-9-2-3-10(8-11(9)12)13-4-6-14-7-5-13/h9-11H,2-8H2,1H3/t9-,10-,11+/m1/s1
InChIKeyOOEUFHQLGSCAGK-MXWKQRLJSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Cyclohexylmethyl)morpholine
CID 641545
4-(4-Tert-butylcyclohexyl)morpholine
CID 742685
4-(4-Methylcyclohexyl)morpholine
CID 870789
4-(4-Ethylcyclohexyl)morpholine
CID 756963
2,6-Dimethyl-4-(3-methylcyclohexyl)morpholine
CID 2846634
4-(2-Ethylhexyl)morpholine
CID 250521
4-[(1-Fluorocyclohexyl)methyl]morpholine
CID 121288208
(2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine
CID 129258293
(2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine
CID 129268469
4-(4,4-Difluoro-1-methylcyclohexyl)morpholine
CID 134562135
Ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345540
4-[(2R)-2-fluoro-5-(2-methylpropyl)cyclohexyl]morpholine
CID 143588789

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine?
The IUPAC name of 4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine (CID 176992500) is 4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine.
What is the SMILES notation for 4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine?
The canonical SMILES for 4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine is C[C@@H]1CC[C@@H](N2CCOCC2)C[C@@H]1F.
What is the InChIKey of 4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine?
The InChIKey is OOEUFHQLGSCAGK-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H20FNO/c1-9-2-3-10(8-11(9)12)13-4-6-14-7-5-13/h9-11H,2-8H2,1H3/t9-,10-,11+/m1/s1.
What are the key properties of 4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine?
4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine has a molecular weight of 201.28 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine is sourced from PubChem (CID 176992500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).