(3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone

C10H7F5N2O — CID 175772486

IUPAC(3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1ncccc1C(F)(F)F)N1CC(F)(F)C1
InChIInChI=1S/C10H7F5N2O/c11-9(12)4-17(5-9)8(18)7-6(10(13,14)15)2-1-3-16-7/h1-3H,4-5H2
InChIKeyRIWBNJZCDPBXTK-UHFFFAOYSA-N
MW266.17 g/mol
LogP2.19
Rot. Bonds1

About (3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone

(3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 175772486) has the molecular formula C10H7F5N2O and a molecular weight of 266.17 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID175772486
Molecular FormulaC10H7F5N2O
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name(3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1ncccc1C(F)(F)F)N1CC(F)(F)C1
InChIInChI=1S/C10H7F5N2O/c11-9(12)4-17(5-9)8(18)7-6(10(13,14)15)2-1-3-16-7/h1-3H,4-5H2
InChIKeyRIWBNJZCDPBXTK-UHFFFAOYSA-N
XLogP2.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[3-(trifluoromethyl)pyridine-2-carbonyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 127729779
(3-anilinopyrrolidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 136519872
2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid
CID 120527535
(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 128717290
(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 128974482
tert-butyl 1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylate
CID 91648435
(3,3-difluoroazetidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 122269321
9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 141226915
[4-[(1S)-1-[3-(trifluoromethyl)phenyl]sulfonylethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 123288675
2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine
CID 86191725
pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 139764799
3-(imidazol-1-ylmethyl)-8-[3-(trifluoromethyl)pyridine-2-carbonyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172667255

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone (CID 175772486) is (3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone is O=C(c1ncccc1C(F)(F)F)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is RIWBNJZCDPBXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2O/c11-9(12)4-17(5-9)8(18)7-6(10(13,14)15)2-1-3-16-7/h1-3H,4-5H2.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone?
(3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 266.17 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 175772486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).