3-(2,5-difluoro-4-methylphenyl)azetidine

C10H11F2N — CID 164663758

IUPAC3-(2,5-difluoro-4-methylphenyl)azetidine
SMILESCc1cc(F)c(C2CNC2)cc1F
InChIInChI=1S/C10H11F2N/c1-6-2-10(12)8(3-9(6)11)7-4-13-5-7/h2-3,7,13H,4-5H2,1H3
InChIKeySAIIFJPGXYIJCG-UHFFFAOYSA-N
MW183.20 g/mol
LogP1.96
Rot. Bonds1

About 3-(2,5-difluoro-4-methylphenyl)azetidine

3-(2,5-difluoro-4-methylphenyl)azetidine (PubChem CID 164663758) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-methylphenyl)azetidine.

Molecular Properties

Compound Name3-(2,5-difluoro-4-methylphenyl)azetidine
PubChem CID164663758
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name3-(2,5-difluoro-4-methylphenyl)azetidine
SMILESCc1cc(F)c(C2CNC2)cc1F
InChIInChI=1S/C10H11F2N/c1-6-2-10(12)8(3-9(6)11)7-4-13-5-7/h2-3,7,13H,4-5H2,1H3
InChIKeySAIIFJPGXYIJCG-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772856
(3R,4S)-4-(2,5-difluoro-4-methylphenyl)-3-methylpyrrolidin-3-amine
CID 178199865
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole
CID 103587997
3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one
CID 81414961
3-(4-fluorothiophen-3-yl)azetidine
CID 168982631
3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
2-methyl-5-(2,4,5-trifluorophenyl)piperidine
CID 115503199
N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide
CID 122150384
2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenol
CID 131165105
3-[(3-fluoro-4-methylphenyl)methyl]azetidine
CID 63647017
1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine
CID 103587648

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-methylphenyl)azetidine?
The IUPAC name of 3-(2,5-difluoro-4-methylphenyl)azetidine (CID 164663758) is 3-(2,5-difluoro-4-methylphenyl)azetidine.
What is the SMILES notation for 3-(2,5-difluoro-4-methylphenyl)azetidine?
The canonical SMILES for 3-(2,5-difluoro-4-methylphenyl)azetidine is Cc1cc(F)c(C2CNC2)cc1F.
What is the InChIKey of 3-(2,5-difluoro-4-methylphenyl)azetidine?
The InChIKey is SAIIFJPGXYIJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c1-6-2-10(12)8(3-9(6)11)7-4-13-5-7/h2-3,7,13H,4-5H2,1H3.
What are the key properties of 3-(2,5-difluoro-4-methylphenyl)azetidine?
3-(2,5-difluoro-4-methylphenyl)azetidine has a molecular weight of 183.20 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-methylphenyl)azetidine is sourced from PubChem (CID 164663758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).