(1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C13H19F3N2O — CID 90019969

IUPAC(1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)8-2-1-3-9(6-8)17-12(19)11-5-7-4-10(7)18-11/h7-11,18H,1-6H2,(H,17,19)/t7-,8+,9-,10-,11+/m1/s1
InChIKeyYXIBGDHIUNMMLN-QGKZMRNZSA-N
MW276.30 g/mol
LogP1.97
Rot. Bonds2

About (1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 90019969) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is (1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID90019969
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name(1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)8-2-1-3-9(6-8)17-12(19)11-5-7-4-10(7)18-11/h7-11,18H,1-6H2,(H,17,19)/t7-,8+,9-,10-,11+/m1/s1
InChIKeyYXIBGDHIUNMMLN-QGKZMRNZSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 90019969) is (1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1C[C@H]2C[C@H]2N1.
What is the InChIKey of (1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is YXIBGDHIUNMMLN-QGKZMRNZSA-N. The full InChI is InChI=1S/C13H19F3N2O/c14-13(15,16)8-2-1-3-9(6-8)17-12(19)11-5-7-4-10(7)18-11/h7-11,18H,1-6H2,(H,17,19)/t7-,8+,9-,10-,11+/m1/s1.
What are the key properties of (1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 90019969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).