2-(2,5-difluorophenyl)-1-methylazetidine

C10H11F2N — CID 68991011

IUPAC2-(2,5-difluorophenyl)-1-methylazetidine
SMILESCN1CCC1c1cc(F)ccc1F
InChIInChI=1S/C10H11F2N/c1-13-5-4-10(13)8-6-7(11)2-3-9(8)12/h2-3,6,10H,4-5H2,1H3
InChIKeyHAKYFPQAQGPXCW-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.34
Rot. Bonds1

About 2-(2,5-difluorophenyl)-1-methylazetidine

2-(2,5-difluorophenyl)-1-methylazetidine (PubChem CID 68991011) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-methylazetidine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-methylazetidine
PubChem CID68991011
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name2-(2,5-difluorophenyl)-1-methylazetidine
SMILESCN1CCC1c1cc(F)ccc1F
InChIInChI=1S/C10H11F2N/c1-13-5-4-10(13)8-6-7(11)2-3-9(8)12/h2-3,6,10H,4-5H2,1H3
InChIKeyHAKYFPQAQGPXCW-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
2-(2,5-difluorophenyl)-1,4-dimethylpiperazine
CID 116856393
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine
CID 129068214
2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane
CID 143961490
2-(2,5-difluorophenyl)azepane-1-carbaldehyde
CID 176681918
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-nitro-1H-pyrrole
CID 174941019
5-chloro-2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-methylimidazole-4-carbonitrile
CID 166306917
1-amino-3-(2,5-difluorophenyl)piperidin-2-one
CID 66839492
(3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol
CID 158694292
4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine
CID 116962663

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-methylazetidine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-methylazetidine (CID 68991011) is 2-(2,5-difluorophenyl)-1-methylazetidine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-methylazetidine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-methylazetidine is CN1CCC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-methylazetidine?
The InChIKey is HAKYFPQAQGPXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c1-13-5-4-10(13)8-6-7(11)2-3-9(8)12/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-methylazetidine?
2-(2,5-difluorophenyl)-1-methylazetidine has a molecular weight of 183.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-methylazetidine is sourced from PubChem (CID 68991011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).