3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine

C11H13ClFNOS — CID 107889691

IUPAC3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine
SMILESO=S(Cc1ccc(Cl)c(F)c1)CC1CNC1
InChIInChI=1S/C11H13ClFNOS/c12-10-2-1-8(3-11(10)13)6-16(15)7-9-4-14-5-9/h1-3,9,14H,4-7H2
InChIKeyHZQHSUPDWWAJFC-UHFFFAOYSA-N
MW261.75 g/mol
LogP1.95
Rot. Bonds4

About 3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine

3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine (PubChem CID 107889691) has the molecular formula C11H13ClFNOS and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine.

Molecular Properties

Compound Name3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine
PubChem CID107889691
Molecular FormulaC11H13ClFNOS
Molecular Weight261.75 g/mol
Exact Mass261.04
IUPAC Name3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine
SMILESO=S(Cc1ccc(Cl)c(F)c1)CC1CNC1
InChIInChI=1S/C11H13ClFNOS/c12-10-2-1-8(3-11(10)13)6-16(15)7-9-4-14-5-9/h1-3,9,14H,4-7H2
InChIKeyHZQHSUPDWWAJFC-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-4-fluorophenyl)methylsulfinylmethyl]azetidine
CID 103042423
3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine
CID 81196456
3-[(3-bromo-4-methoxyphenyl)methylsulfinylmethyl]azetidine
CID 81197574
1-[(4-chloro-3-fluorophenyl)methylsulfinyl]propan-2-amine
CID 107889613
3-(azetidin-3-ylmethylsulfinylmethyl)benzamide
CID 81197896
5-chloro-2-[(4-chloro-3-fluorophenyl)methylsulfinyl]aniline
CID 107889453
2-[(4-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine
CID 107889598
4-[(4-chloro-3-fluorophenyl)methylsulfinyl]benzoic acid
CID 107885639
3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine
CID 107882752
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
(4-chloro-3-fluorophenyl)methyl hydrogen sulfite
CID 174745744
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine?
The IUPAC name of 3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine (CID 107889691) is 3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine.
What is the SMILES notation for 3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine?
The canonical SMILES for 3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine is O=S(Cc1ccc(Cl)c(F)c1)CC1CNC1.
What is the InChIKey of 3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine?
The InChIKey is HZQHSUPDWWAJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNOS/c12-10-2-1-8(3-11(10)13)6-16(15)7-9-4-14-5-9/h1-3,9,14H,4-7H2.
What are the key properties of 3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine?
3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine has a molecular weight of 261.75 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine is sourced from PubChem (CID 107889691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).