N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C10H12F4N2O — CID 123708450

IUPACN-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCC(F)=CC(F)(F)F)C1CC2CC2N1
InChIInChI=1S/C10H12F4N2O/c11-6(3-10(12,13)14)4-15-9(17)8-2-5-1-7(5)16-8/h3,5,7-8,16H,1-2,4H2,(H,15,17)
InChIKeyGOXVKDDEPPNKEK-UHFFFAOYSA-N
MW252.21 g/mol
LogP1.27
Rot. Bonds3

About N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 123708450) has the molecular formula C10H12F4N2O and a molecular weight of 252.21 g/mol. Its IUPAC name is N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID123708450
Molecular FormulaC10H12F4N2O
Molecular Weight252.21 g/mol
Exact Mass252.09
IUPAC NameN-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCC(F)=CC(F)(F)F)C1CC2CC2N1
InChIInChI=1S/C10H12F4N2O/c11-6(3-10(12,13)14)4-15-9(17)8-2-5-1-7(5)16-8/h3,5,7-8,16H,1-2,4H2,(H,15,17)
InChIKeyGOXVKDDEPPNKEK-UHFFFAOYSA-N
XLogP1.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S,5R)-tert-butyl 3-(((Z)-2,4,4,4-tetrafluorobut-2-en-1-yl)carbamoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 90019639
tert-butyl 3-[[(E)-2,4,4,4-tetrafluorobut-2-enyl]carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 90019640
(1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020197
(1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020449
(1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020531
tert-butyl 3-[[(Z)-2,4,4,4-tetrafluorobut-2-enyl]carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 118496609
N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123186551
N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123654014
N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123943746
(1R,3S)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 130256950
(1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-3-carboxylic acid (2-fluoro-3-methyl-but-2-enyl)-amide trifluoroacetate
CID 131744298
tert-butyl (1R,3S,5R)-3-(2,4,4,4-tetrafluorobut-2-enylcarbamoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 173533216

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 123708450) is N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(NCC(F)=CC(F)(F)F)C1CC2CC2N1.
What is the InChIKey of N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is GOXVKDDEPPNKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2O/c11-6(3-10(12,13)14)4-15-9(17)8-2-5-1-7(5)16-8/h3,5,7-8,16H,1-2,4H2,(H,15,17).
What are the key properties of N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 252.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 123708450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).