(2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone

C8H10F3NO — CID 130661032

IUPAC(2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone
SMILESCC1C(C(=O)N2CC(F)C2)C1(F)F
InChIInChI=1S/C8H10F3NO/c1-4-6(8(4,10)11)7(13)12-2-5(9)3-12/h4-6H,2-3H2,1H3
InChIKeyHDVNLTBQXOISLK-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.07
Rot. Bonds1

About (2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone

(2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone (PubChem CID 130661032) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is (2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone
PubChem CID130661032
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name(2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone
SMILESCC1C(C(=O)N2CC(F)C2)C1(F)F
InChIInChI=1S/C8H10F3NO/c1-4-6(8(4,10)11)7(13)12-2-5(9)3-12/h4-6H,2-3H2,1H3
InChIKeyHDVNLTBQXOISLK-UHFFFAOYSA-N
XLogP1.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336
7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 136531573
(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(2,2-difluoro-3-methylcyclopropyl)methanone
CID 136533642
tert-butyl 3-fluoroazetidine-1-carboxylate
CID 58394681
1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one
CID 89177757
1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 59440861
(3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone
CID 131086250
(3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone
CID 130626212
3-fluoro-1-prop-1-en-2-ylazetidine
CID 166960449
2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide
CID 130774809
(3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone
CID 130634407
tert-butyl (2R,4S)-2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-fluoropyrrolidine-1-carboxylate
CID 99825578

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of (2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone (CID 130661032) is (2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for (2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for (2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone is CC1C(C(=O)N2CC(F)C2)C1(F)F.
What is the InChIKey of (2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is HDVNLTBQXOISLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-4-6(8(4,10)11)7(13)12-2-5(9)3-12/h4-6H,2-3H2,1H3.
What are the key properties of (2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone?
(2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 193.17 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 130661032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).