(2S)-2-(2,5-difluorophenyl)azetidine

C9H9F2N — CID 55278103

IUPAC(2S)-2-(2,5-difluorophenyl)azetidine
SMILESFc1ccc(F)c([C@@H]2CCN2)c1
InChIInChI=1S/C9H9F2N/c10-6-1-2-8(11)7(5-6)9-3-4-12-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1
InChIKeyMCPOGYRGMPOKJA-VIFPVBQESA-N
MW169.17 g/mol
LogP2.00
Rot. Bonds1

About (2S)-2-(2,5-difluorophenyl)azetidine

(2S)-2-(2,5-difluorophenyl)azetidine (PubChem CID 55278103) has the molecular formula C9H9F2N and a molecular weight of 169.17 g/mol. Its IUPAC name is (2S)-2-(2,5-difluorophenyl)azetidine.

Molecular Properties

Compound Name(2S)-2-(2,5-difluorophenyl)azetidine
PubChem CID55278103
Molecular FormulaC9H9F2N
Molecular Weight169.17 g/mol
Exact Mass169.07
IUPAC Name(2S)-2-(2,5-difluorophenyl)azetidine
SMILESFc1ccc(F)c([C@@H]2CCN2)c1
InChIInChI=1S/C9H9F2N/c10-6-1-2-8(11)7(5-6)9-3-4-12-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1
InChIKeyMCPOGYRGMPOKJA-VIFPVBQESA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
CID 174947937
CID 174947937
2-[(2S)-azetidin-2-yl]-4-fluorophenol
CID 55277686
(2S)-2-(2-bromo-5-fluorophenyl)azetidine
CID 130681917
(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride
CID 171197239
(2S)-2-(2-bromo-4-fluorophenyl)azetidine
CID 131131441
(2R)-2-(2-ethyl-5-fluorophenyl)azetidine
CID 55294534
2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine
CID 79016148
(2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride
CID 171197171
4-(2,5-difluorophenyl)imidazolidine
CID 174840192
3-(2,5-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 79337990
2-(azetidin-2-yl)-4-fluorobenzoic acid
CID 55297261

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-difluorophenyl)azetidine?
The IUPAC name of (2S)-2-(2,5-difluorophenyl)azetidine (CID 55278103) is (2S)-2-(2,5-difluorophenyl)azetidine.
What is the SMILES notation for (2S)-2-(2,5-difluorophenyl)azetidine?
The canonical SMILES for (2S)-2-(2,5-difluorophenyl)azetidine is Fc1ccc(F)c([C@@H]2CCN2)c1.
What is the InChIKey of (2S)-2-(2,5-difluorophenyl)azetidine?
The InChIKey is MCPOGYRGMPOKJA-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9F2N/c10-6-1-2-8(11)7(5-6)9-3-4-12-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1.
What are the key properties of (2S)-2-(2,5-difluorophenyl)azetidine?
(2S)-2-(2,5-difluorophenyl)azetidine has a molecular weight of 169.17 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-difluorophenyl)azetidine is sourced from PubChem (CID 55278103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).