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

C12H18F2N2O — CID 90020449

IUPAC(1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NC1CCCCC1(F)F)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C12H18F2N2O/c13-12(14)4-2-1-3-10(12)16-11(17)9-6-7-5-8(7)15-9/h7-10,15H,1-6H2,(H,16,17)/t7-,8-,9+,10?/m1/s1
InChIKeyGAQGQVPWLRVUOQ-HNJRMYHASA-N
MW244.28 g/mol
LogP1.43
Rot. Bonds2

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

(1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 90020449) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is (1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID90020449
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name(1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NC1CCCCC1(F)F)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C12H18F2N2O/c13-12(14)4-2-1-3-10(12)16-11(17)9-6-7-5-8(7)15-9/h7-10,15H,1-6H2,(H,16,17)/t7-,8-,9+,10?/m1/s1
InChIKeyGAQGQVPWLRVUOQ-HNJRMYHASA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.43
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-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 90020449) is (1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(NC1CCCCC1(F)F)[C@@H]1C[C@H]2C[C@H]2N1.
What is the InChIKey of (1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is GAQGQVPWLRVUOQ-HNJRMYHASA-N. The full InChI is InChI=1S/C12H18F2N2O/c13-12(14)4-2-1-3-10(12)16-11(17)9-6-7-5-8(7)15-9/h7-10,15H,1-6H2,(H,16,17)/t7-,8-,9+,10?/m1/s1.
What are the key properties of (1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 244.28 g/mol, XLogP of 1.43, 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-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 90020449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).