N-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide

C12H12F5N3O — CID 175648194

IUPACN-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
SMILESO=C(NCC(F)F)C1CN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H12F5N3O/c13-9(14)4-18-11(21)7-5-20(6-7)10-3-1-2-8(19-10)12(15,16)17/h1-3,7,9H,4-6H2,(H,18,21)
InChIKeyOXJNSMZOCNCJLQ-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.92
Rot. Bonds4

About N-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide

N-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide (PubChem CID 175648194) has the molecular formula C12H12F5N3O and a molecular weight of 309.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
PubChem CID175648194
Molecular FormulaC12H12F5N3O
Molecular Weight309.24 g/mol
Exact Mass309.09
IUPAC NameN-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
SMILESO=C(NCC(F)F)C1CN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H12F5N3O/c13-9(14)4-18-11(21)7-5-20(6-7)10-3-1-2-8(19-10)12(15,16)17/h1-3,7,9H,4-6H2,(H,18,21)
InChIKeyOXJNSMZOCNCJLQ-UHFFFAOYSA-N
XLogP1.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 115538400
1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 608445
N-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 175650065
1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide
CID 175648192
morpholin-4-yl-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 155975820
pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
CID 155799944
(2S)-N-[(3aR,4S,6aS)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 87229653
[1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid
CID 69034315
methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate
CID 133444594
N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47090227
1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea
CID 10317091
(2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 94810988

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide (CID 175648194) is N-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide is O=C(NCC(F)F)C1CN(c2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide?
The InChIKey is OXJNSMZOCNCJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5N3O/c13-9(14)4-18-11(21)7-5-20(6-7)10-3-1-2-8(19-10)12(15,16)17/h1-3,7,9H,4-6H2,(H,18,21).
What are the key properties of N-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide?
N-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide has a molecular weight of 309.24 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide is sourced from PubChem (CID 175648194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).