2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline

C9H10ClFN2 — CID 130713903

IUPAC2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline
SMILESNc1c(F)cc(Cl)cc1[C@H]1CCN1
InChIInChI=1S/C9H10ClFN2/c10-5-3-6(8-1-2-13-8)9(12)7(11)4-5/h3-4,8,13H,1-2,12H2/t8-/m1/s1
InChIKeyQAEPWQXNZFCPTM-MRVPVSSYSA-N
MW200.64 g/mol
LogP2.10
Rot. Bonds1

About 2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline

2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline (PubChem CID 130713903) has the molecular formula C9H10ClFN2 and a molecular weight of 200.64 g/mol. Its IUPAC name is 2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline.

Molecular Properties

Compound Name2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline
PubChem CID130713903
Molecular FormulaC9H10ClFN2
Molecular Weight200.64 g/mol
Exact Mass200.05
IUPAC Name2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline
SMILESNc1c(F)cc(Cl)cc1[C@H]1CCN1
InChIInChI=1S/C9H10ClFN2/c10-5-3-6(8-1-2-13-8)9(12)7(11)4-5/h3-4,8,13H,1-2,12H2/t8-/m1/s1
InChIKeyQAEPWQXNZFCPTM-MRVPVSSYSA-N
XLogP2.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192
2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline
CID 66519219
2-(5-chloro-2,3-difluorophenyl)pyrrolidine
CID 84785733
2-(5-chloro-2,3-difluorophenyl)piperidine
CID 84795035
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
(2R)-2-(4-chloro-2-methylphenyl)azetidine
CID 130665012
2-[(2S)-azetidin-2-yl]-4,6-dichlorophenol;hydrochloride
CID 171196609
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
CID 130700995
(2S)-2-(5-chloro-2-ethylphenyl)azetidine
CID 55269141
[2-[(2R)-azetidin-2-yl]-4-chlorophenyl]methanol
CID 130665382
(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride
CID 171197239

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline?
The IUPAC name of 2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline (CID 130713903) is 2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline.
What is the SMILES notation for 2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline?
The canonical SMILES for 2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline is Nc1c(F)cc(Cl)cc1[C@H]1CCN1.
What is the InChIKey of 2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline?
The InChIKey is QAEPWQXNZFCPTM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10ClFN2/c10-5-3-6(8-1-2-13-8)9(12)7(11)4-5/h3-4,8,13H,1-2,12H2/t8-/m1/s1.
What are the key properties of 2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline?
2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline has a molecular weight of 200.64 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline is sourced from PubChem (CID 130713903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).