1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile

C18H21FN2O2 — CID 94677382

IUPAC1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CCCCC1
InChIInChI=1S/C18H21FN2O2/c19-15-6-4-14(5-7-15)16-12-21(10-11-23-16)17(22)18(13-20)8-2-1-3-9-18/h4-7,16H,1-3,8-12H2/t16-/m0/s1
InChIKeyAQQFOMQXRUOLKY-INIZCTEOSA-N
MW316.38 g/mol
LogP3.20
Rot. Bonds2

About 1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile

1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile (PubChem CID 94677382) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile
PubChem CID94677382
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CCCCC1
InChIInChI=1S/C18H21FN2O2/c19-15-6-4-14(5-7-15)16-12-21(10-11-23-16)17(22)18(13-20)8-2-1-3-9-18/h4-7,16H,1-3,8-12H2/t16-/m0/s1
InChIKeyAQQFOMQXRUOLKY-INIZCTEOSA-N
XLogP3.20
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile (CID 94677382) is 1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile is N#CC1(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CCCCC1.
What is the InChIKey of 1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile?
The InChIKey is AQQFOMQXRUOLKY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-15-6-4-14(5-7-15)16-12-21(10-11-23-16)17(22)18(13-20)8-2-1-3-9-18/h4-7,16H,1-3,8-12H2/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile?
1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile has a molecular weight of 316.38 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 94677382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).