3-(3-chloro-2-fluorophenyl)azetidin-3-amine

C9H10ClFN2 — CID 166608874

IUPAC3-(3-chloro-2-fluorophenyl)azetidin-3-amine
SMILESNC1(c2cccc(Cl)c2F)CNC1
InChIInChI=1S/C9H10ClFN2/c10-7-3-1-2-6(8(7)11)9(12)4-13-5-9/h1-3,13H,4-5,12H2
InChIKeyRXMIEIGUSULKBF-UHFFFAOYSA-N
MW200.64 g/mol
LogP1.24
Rot. Bonds1

About 3-(3-chloro-2-fluorophenyl)azetidin-3-amine

3-(3-chloro-2-fluorophenyl)azetidin-3-amine (PubChem CID 166608874) has the molecular formula C9H10ClFN2 and a molecular weight of 200.64 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)azetidin-3-amine.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)azetidin-3-amine
PubChem CID166608874
Molecular FormulaC9H10ClFN2
Molecular Weight200.64 g/mol
Exact Mass200.05
IUPAC Name3-(3-chloro-2-fluorophenyl)azetidin-3-amine
SMILESNC1(c2cccc(Cl)c2F)CNC1
InChIInChI=1S/C9H10ClFN2/c10-7-3-1-2-6(8(7)11)9(12)4-13-5-9/h1-3,13H,4-5,12H2
InChIKeyRXMIEIGUSULKBF-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine;1-(3-chloro-2-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 158493819
3-[2-(difluoromethyl)phenyl]azetidin-3-amine
CID 166608725
1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 89184004
4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 82803603
3-(2,6-dichlorophenyl)-3-fluoroazetidine
CID 166534513
2-(1-aminocyclopropyl)-6-chlorophenol
CID 84732624
3-(2-bromophenyl)azetidin-3-amine;hydrochloride
CID 166608779
[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
CID 82802471
3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride
CID 166608984
2-(1-aminocyclopentyl)-6-chlorophenol
CID 131350484
3-[2-(2-bromophenyl)phenyl]azetidin-3-amine
CID 166608053
3-(4-chloro-2-methylphenyl)azetidin-3-amine
CID 166608774

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)azetidin-3-amine?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)azetidin-3-amine (CID 166608874) is 3-(3-chloro-2-fluorophenyl)azetidin-3-amine.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)azetidin-3-amine?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)azetidin-3-amine is NC1(c2cccc(Cl)c2F)CNC1.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)azetidin-3-amine?
The InChIKey is RXMIEIGUSULKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2/c10-7-3-1-2-6(8(7)11)9(12)4-13-5-9/h1-3,13H,4-5,12H2.
What are the key properties of 3-(3-chloro-2-fluorophenyl)azetidin-3-amine?
3-(3-chloro-2-fluorophenyl)azetidin-3-amine has a molecular weight of 200.64 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)azetidin-3-amine is sourced from PubChem (CID 166608874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).