3-phenylmethoxyazetidine-1-sulfonyl fluoride

C10H12FNO3S — CID 134969133

IUPAC3-phenylmethoxyazetidine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CC(OCc2ccccc2)C1
InChIInChI=1S/C10H12FNO3S/c11-16(13,14)12-6-10(7-12)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyOUVNJFSSURZSDX-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.10
Rot. Bonds4

About 3-phenylmethoxyazetidine-1-sulfonyl fluoride

3-phenylmethoxyazetidine-1-sulfonyl fluoride (PubChem CID 134969133) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-phenylmethoxyazetidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-phenylmethoxyazetidine-1-sulfonyl fluoride
PubChem CID134969133
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name3-phenylmethoxyazetidine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CC(OCc2ccccc2)C1
InChIInChI=1S/C10H12FNO3S/c11-16(13,14)12-6-10(7-12)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyOUVNJFSSURZSDX-UHFFFAOYSA-N
XLogP1.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine
CID 53089757
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
4-phenylmethoxypiperidine-1-sulfonic acid
CID 174878483
(3aR,6aS)-5-phenylmethoxy-2-pyrrolidin-1-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 155902802
3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine
CID 53089711
4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane
CID 162795674
(5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine
CID 130275873
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
1-(2,4-difluorophenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine
CID 53008553
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(3-phenylmethoxycyclobutyl) ethanesulfonate
CID 87670709

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxyazetidine-1-sulfonyl fluoride?
The IUPAC name of 3-phenylmethoxyazetidine-1-sulfonyl fluoride (CID 134969133) is 3-phenylmethoxyazetidine-1-sulfonyl fluoride.
What is the SMILES notation for 3-phenylmethoxyazetidine-1-sulfonyl fluoride?
The canonical SMILES for 3-phenylmethoxyazetidine-1-sulfonyl fluoride is O=S(=O)(F)N1CC(OCc2ccccc2)C1.
What is the InChIKey of 3-phenylmethoxyazetidine-1-sulfonyl fluoride?
The InChIKey is OUVNJFSSURZSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c11-16(13,14)12-6-10(7-12)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 3-phenylmethoxyazetidine-1-sulfonyl fluoride?
3-phenylmethoxyazetidine-1-sulfonyl fluoride has a molecular weight of 245.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxyazetidine-1-sulfonyl fluoride is sourced from PubChem (CID 134969133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).