1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one

C12H20FNO — CID 158316462

IUPAC1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one
SMILESC/C(F)=C/C1CN(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C12H20FNO/c1-9(13)5-10-7-14(8-10)11(15)6-12(2,3)4/h5,10H,6-8H2,1-4H3/b9-5-
InChIKeyXKNYAQZTDOYTNY-UITAMQMPSA-N
MW213.30 g/mol
LogP2.75
Rot. Bonds2

About 1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one

1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 158316462) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID158316462
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one
SMILESC/C(F)=C/C1CN(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C12H20FNO/c1-9(13)5-10-7-14(8-10)11(15)6-12(2,3)4/h5,10H,6-8H2,1-4H3/b9-5-
InChIKeyXKNYAQZTDOYTNY-UITAMQMPSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-trifluoro-1-[3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3-methylazetidin-1-yl]butan-1-one
CID 142529745
1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one
CID 155411482
1-[3-(2,2-Difluoroethenyl)azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 155738144
1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 156029953
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-1-one
CID 130634356
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
CID 130667800
1-(3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-3-methylbutan-1-one
CID 130679998
Cyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone
CID 131176907
3-methyl-1-[3-[(Z)-prop-1-enyl]azetidin-1-yl]butan-1-one
CID 155738113
1-(3-Ethenylazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 155738117
3,3-dimethyl-1-[3-[(Z)-prop-1-enyl]azetidin-1-yl]butan-1-one
CID 155765552
1-(3-Ethenylazetidin-1-yl)-3-methylbutan-1-one
CID 156029972

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one (CID 158316462) is 1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one is C/C(F)=C/C1CN(C(=O)CC(C)(C)C)C1.
What is the InChIKey of 1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is XKNYAQZTDOYTNY-UITAMQMPSA-N. The full InChI is InChI=1S/C12H20FNO/c1-9(13)5-10-7-14(8-10)11(15)6-12(2,3)4/h5,10H,6-8H2,1-4H3/b9-5-.
What are the key properties of 1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one?
1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 213.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 158316462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).