3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride

C10H11F2NO3S — CID 154880738

IUPAC3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride
SMILESCOc1cc(C2CN(S(=O)(=O)F)C2)ccc1F
InChIInChI=1S/C10H11F2NO3S/c1-16-10-4-7(2-3-9(10)11)8-5-13(6-8)17(12,14)15/h2-4,8H,5-6H2,1H3
InChIKeyOSAYNBLRTUULPE-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.45
Rot. Bonds3

About 3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride

3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride (PubChem CID 154880738) has the molecular formula C10H11F2NO3S and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride
PubChem CID154880738
Molecular FormulaC10H11F2NO3S
Molecular Weight263.26 g/mol
Exact Mass263.04
IUPAC Name3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride
SMILESCOc1cc(C2CN(S(=O)(=O)F)C2)ccc1F
InChIInChI=1S/C10H11F2NO3S/c1-16-10-4-7(2-3-9(10)11)8-5-13(6-8)17(12,14)15/h2-4,8H,5-6H2,1H3
InChIKeyOSAYNBLRTUULPE-UHFFFAOYSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one
CID 166282479
trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine
CID 138987328
trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 138987329
1-(4-fluoro-3-methoxyphenyl)sulfonylazepane
CID 8721927
1,4-bis[(4-fluoro-3-methoxyphenyl)sulfonyl]-1,4-diazepane
CID 22332516
3-(4-fluoro-3-methoxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120711818
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115836236
1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one
CID 114839933
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
4-fluoro-3-methoxy-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 114839567
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
CID 18344262
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride?
The IUPAC name of 3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride (CID 154880738) is 3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride.
What is the SMILES notation for 3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride?
The canonical SMILES for 3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride is COc1cc(C2CN(S(=O)(=O)F)C2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride?
The InChIKey is OSAYNBLRTUULPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3S/c1-16-10-4-7(2-3-9(10)11)8-5-13(6-8)17(12,14)15/h2-4,8H,5-6H2,1H3.
What are the key properties of 3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride?
3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride has a molecular weight of 263.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride is sourced from PubChem (CID 154880738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).