N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide

C9H13F3N2O2 — CID 71250574

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C12CNCC1C2
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)6(15)3-14-7(16)8-1-5(8)2-13-4-8/h5-6,13,15H,1-4H2,(H,14,16)
InChIKeyVLLXCOCMFQATBJ-UHFFFAOYSA-N
MW238.21 g/mol
LogP-0.36
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide

N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 71250574) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID71250574
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C12CNCC1C2
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)6(15)3-14-7(16)8-1-5(8)2-13-4-8/h5-6,13,15H,1-4H2,(H,14,16)
InChIKeyVLLXCOCMFQATBJ-UHFFFAOYSA-N
XLogP-0.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 1-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 71250461
N-(2-cyclopropyl-2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227659
1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 103723063
1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 103770129
N-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide
CID 103770268
N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 103795788
N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 103796505
3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 103821999
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 103822054
(3R)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 105645979
(3S)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 105646069
3-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 105646139

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide (CID 71250574) is N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide is O=C(NCC(O)C(F)(F)F)C12CNCC1C2.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is VLLXCOCMFQATBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c10-9(11,12)6(15)3-14-7(16)8-1-5(8)2-13-4-8/h5-6,13,15H,1-4H2,(H,14,16).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 238.21 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 71250574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).