1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one

C8H14FNO — CID 59440861

IUPAC1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC(F)C1
InChIInChI=1S/C8H14FNO/c1-8(2,3)7(11)10-4-6(9)5-10/h6H,4-5H2,1-3H3
InChIKeyPKHJLXUPLJNMTI-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.21
Rot. Bonds

About 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one

1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 59440861) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID59440861
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC(F)C1
InChIInChI=1S/C8H14FNO/c1-8(2,3)7(11)10-4-6(9)5-10/h6H,4-5H2,1-3H3
InChIKeyPKHJLXUPLJNMTI-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one
CID 130296498
1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750039
1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 89150280
1-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2,2-dimethylpropan-1-one
CID 138562984
1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336
tert-butyl 3-fluoroazetidine-1-carboxylate
CID 58394681
1-(2,2-dimethylpropanoyl)azetidine-3-carbonitrile
CID 89411153
1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one
CID 176736984
2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide
CID 126750153
2,2,2-trifluoro-1-(3-fluoro-5-methylpiperidin-1-yl)ethanone
CID 134827930
3-fluoro-1-prop-1-en-2-ylazetidine
CID 166960449
1-(3,4-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 79036490

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one (CID 59440861) is 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC(F)C1.
What is the InChIKey of 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is PKHJLXUPLJNMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-8(2,3)7(11)10-4-6(9)5-10/h6H,4-5H2,1-3H3.
What are the key properties of 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one?
1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 159.20 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59440861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).