3-(2,6-dichlorophenyl)-3-fluoroazetidine

C9H8Cl2FN — CID 166534513

IUPAC3-(2,6-dichlorophenyl)-3-fluoroazetidine
SMILESFC1(c2c(Cl)cccc2Cl)CNC1
InChIInChI=1S/C9H8Cl2FN/c10-6-2-1-3-7(11)8(6)9(12)4-13-5-9/h1-3,13H,4-5H2
InChIKeyDGAFJRCTCXKQNO-UHFFFAOYSA-N
MW220.07 g/mol
LogP2.76
Rot. Bonds1

About 3-(2,6-dichlorophenyl)-3-fluoroazetidine

3-(2,6-dichlorophenyl)-3-fluoroazetidine (PubChem CID 166534513) has the molecular formula C9H8Cl2FN and a molecular weight of 220.07 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-3-fluoroazetidine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-3-fluoroazetidine
PubChem CID166534513
Molecular FormulaC9H8Cl2FN
Molecular Weight220.07 g/mol
Exact Mass219.00
IUPAC Name3-(2,6-dichlorophenyl)-3-fluoroazetidine
SMILESFC1(c2c(Cl)cccc2Cl)CNC1
InChIInChI=1S/C9H8Cl2FN/c10-6-2-1-3-7(11)8(6)9(12)4-13-5-9/h1-3,13H,4-5H2
InChIKeyDGAFJRCTCXKQNO-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine
CID 114736013
3-(2,6-dimethoxyphenyl)-3-fluoroazetidine
CID 116811435
3-(3-chloro-2-fluorophenyl)azetidin-3-amine
CID 166608874
ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine
CID 171624714
3-fluoro-3-(4-phenylphenyl)azetidine
CID 112563501
3-fluoro-3-(4-iodophenyl)azetidine
CID 126651530
3-(3-fluoroazetidin-3-yl)pyridine
CID 112563486
5'-chlorospiro[1,3-dithiolane-2,4'-2,3-dihydro-1H-isoquinoline]
CID 20703592
3-(3-fluoroazetidin-3-yl)benzoic acid
CID 138039761
3-(2-chlorophenoxy)-3-methylazetidine
CID 115021262
3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine
CID 107310931
3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol
CID 117103678

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-3-fluoroazetidine?
The IUPAC name of 3-(2,6-dichlorophenyl)-3-fluoroazetidine (CID 166534513) is 3-(2,6-dichlorophenyl)-3-fluoroazetidine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-3-fluoroazetidine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-3-fluoroazetidine is FC1(c2c(Cl)cccc2Cl)CNC1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-3-fluoroazetidine?
The InChIKey is DGAFJRCTCXKQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2FN/c10-6-2-1-3-7(11)8(6)9(12)4-13-5-9/h1-3,13H,4-5H2.
What are the key properties of 3-(2,6-dichlorophenyl)-3-fluoroazetidine?
3-(2,6-dichlorophenyl)-3-fluoroazetidine has a molecular weight of 220.07 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-3-fluoroazetidine is sourced from PubChem (CID 166534513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).