N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide

C11H17F3N2O3 — CID 142539991

IUPACN-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCOC1)N1CCC(OC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)19-9-3-4-16(6-9)10(17)15-8-2-1-5-18-7-8/h8-9H,1-7H2,(H,15,17)
InChIKeyQSKLSXZBCPHYEG-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.49
Rot. Bonds2

About N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide

N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide (PubChem CID 142539991) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
PubChem CID142539991
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC NameN-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCOC1)N1CCC(OC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)19-9-3-4-16(6-9)10(17)15-8-2-1-5-18-7-8/h8-9H,1-7H2,(H,15,17)
InChIKeyQSKLSXZBCPHYEG-UHFFFAOYSA-N
XLogP1.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875942
(3S,4S)-1-(oxan-3-ylcarbamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122001084
(3S,4S)-1-[[(3R)-oxan-3-yl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122014555
(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120821
5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 126780814
1-(oxan-3-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708921
3,4-dimethyl-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 115871728
4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 103839211
2,2,2-trifluoroethyl N-(oxan-3-yl)carbamate
CID 63598108
2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide
CID 115760659
oxan-3-ylcarbamic acid
CID 68631624
[(3S)-oxan-3-yl]carbamic acid
CID 141364908

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide?
The IUPAC name of N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide (CID 142539991) is N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide is O=C(NC1CCCOC1)N1CCC(OC(F)(F)F)C1.
What is the InChIKey of N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide?
The InChIKey is QSKLSXZBCPHYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)19-9-3-4-16(6-9)10(17)15-8-2-1-5-18-7-8/h8-9H,1-7H2,(H,15,17).
What are the key properties of N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide?
N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide is sourced from PubChem (CID 142539991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).