1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one

C10H16FNO — CID 155411482

IUPAC1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CC(/C=C\F)C1
InChIInChI=1S/C10H16FNO/c1-8(2)5-10(13)12-6-9(7-12)3-4-11/h3-4,8-9H,5-7H2,1-2H3/b4-3-
InChIKeySOPGZASRWXTUFT-ARJAWSKDSA-N
MW185.24 g/mol
LogP1.97
Rot. Bonds3

About 1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one

1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one (PubChem CID 155411482) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one
PubChem CID155411482
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CC(/C=C\F)C1
InChIInChI=1S/C10H16FNO/c1-8(2)5-10(13)12-6-9(7-12)3-4-11/h3-4,8-9H,5-7H2,1-2H3/b4-3-
InChIKeySOPGZASRWXTUFT-ARJAWSKDSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-2-fluoro-3-methylpent-4-enamide
CID 86259336
1-[3-(2,2-Difluoroethenyl)azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 155738144
1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]pentan-1-one
CID 155738155
1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 156029953
1-[3-[(Z)-2-fluoroprop-1-enyl]azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 158316462
N-butyl-N-(2-ethyl-2-fluoropent-4-enyl)-2-methylpropanamide
CID 172384049
1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]ethanone
CID 175874244
(2R,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide
CID 134922741
(2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide
CID 134987381
(2R,3R)-2-Fluoro-3-methyl-1-(pyrrolidin-1-yl)pent-4-en-1-one
CID 13545316
(2R,3S)-2-Fluoro-3-methyl-1-(pyrrolidin-1-yl)pent-4-en-1-one
CID 13545317
(2R)-N,N-diethyl-2-fluoro-3-methyl-2-(trifluoromethyl)pent-4-enamide
CID 101934072

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one (CID 155411482) is 1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CC(/C=C\F)C1.
What is the InChIKey of 1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one?
The InChIKey is SOPGZASRWXTUFT-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H16FNO/c1-8(2)5-10(13)12-6-9(7-12)3-4-11/h3-4,8-9H,5-7H2,1-2H3/b4-3-.
What are the key properties of 1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one?
1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one has a molecular weight of 185.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(Z)-2-fluoroethenyl]azetidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 155411482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).