3-[difluoro-(2-methylphenyl)methyl]azetidine

C11H13F2N — CID 105450558

IUPAC3-[difluoro-(2-methylphenyl)methyl]azetidine
SMILESCc1ccccc1C(F)(F)C1CNC1
InChIInChI=1S/C11H13F2N/c1-8-4-2-3-5-10(8)11(12,13)9-6-14-7-9/h2-5,9,14H,6-7H2,1H3
InChIKeyJMYWRVIINPPIJQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.31
Rot. Bonds2

About 3-[difluoro-(2-methylphenyl)methyl]azetidine

3-[difluoro-(2-methylphenyl)methyl]azetidine (PubChem CID 105450558) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-[difluoro-(2-methylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-[difluoro-(2-methylphenyl)methyl]azetidine
PubChem CID105450558
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name3-[difluoro-(2-methylphenyl)methyl]azetidine
SMILESCc1ccccc1C(F)(F)C1CNC1
InChIInChI=1S/C11H13F2N/c1-8-4-2-3-5-10(8)11(12,13)9-6-14-7-9/h2-5,9,14H,6-7H2,1H3
InChIKeyJMYWRVIINPPIJQ-UHFFFAOYSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[difluoro-(2-methylphenyl)methyl]piperidine
CID 84725689
2-[azetidin-3-yl(difluoro)methyl]phenol
CID 105451962
1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol
CID 105457980
3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine
CID 116838867
3-[difluoro-(2-methoxyphenyl)methyl]piperidine
CID 84728168
3-[difluoro-(3-fluorophenyl)methyl]azetidine
CID 105453338
1-(1-fluoro-1-iodoethyl)-2-methylbenzene
CID 170359847
4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine
CID 116838786
(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
CID 93311996
3-[2-(trifluoromethyl)phenyl]sulfanylazetidine
CID 105492427
2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine
CID 84724881
3-[2,6-bis(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 154791421

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro-(2-methylphenyl)methyl]azetidine?
The IUPAC name of 3-[difluoro-(2-methylphenyl)methyl]azetidine (CID 105450558) is 3-[difluoro-(2-methylphenyl)methyl]azetidine.
What is the SMILES notation for 3-[difluoro-(2-methylphenyl)methyl]azetidine?
The canonical SMILES for 3-[difluoro-(2-methylphenyl)methyl]azetidine is Cc1ccccc1C(F)(F)C1CNC1.
What is the InChIKey of 3-[difluoro-(2-methylphenyl)methyl]azetidine?
The InChIKey is JMYWRVIINPPIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-8-4-2-3-5-10(8)11(12,13)9-6-14-7-9/h2-5,9,14H,6-7H2,1H3.
What are the key properties of 3-[difluoro-(2-methylphenyl)methyl]azetidine?
3-[difluoro-(2-methylphenyl)methyl]azetidine has a molecular weight of 197.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro-(2-methylphenyl)methyl]azetidine is sourced from PubChem (CID 105450558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).