3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine

C13H17ClFN — CID 102621652

IUPAC3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine
SMILESCCCC1(Cc2cc(F)ccc2Cl)CNC1
InChIInChI=1S/C13H17ClFN/c1-2-5-13(8-16-9-13)7-10-6-11(15)3-4-12(10)14/h3-4,6,16H,2,5,7-9H2,1H3
InChIKeyJRJIXKIJRHYVLX-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.41
Rot. Bonds4

About 3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine

3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine (PubChem CID 102621652) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine.

Molecular Properties

Compound Name3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine
PubChem CID102621652
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine
SMILESCCCC1(Cc2cc(F)ccc2Cl)CNC1
InChIInChI=1S/C13H17ClFN/c1-2-5-13(8-16-9-13)7-10-6-11(15)3-4-12(10)14/h3-4,6,16H,2,5,7-9H2,1H3
InChIKeyJRJIXKIJRHYVLX-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,5-difluorophenyl)methyl]-3-propylazetidine
CID 79451845
3-[(2,4-difluorophenyl)methyl]-3-propylazetidine
CID 79451436
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
CID 102621650
3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol
CID 102617348
3-[(3,4-dichlorophenyl)methyl]-3-propylazetidine
CID 79451841
2-[(2-chloro-5-fluorophenyl)methyl]-2-propylazepane
CID 102619096
3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine
CID 102621662
3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine
CID 79451763
3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine
CID 102616694
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine
CID 102621675
1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 83689412
[1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 102621042

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine?
The IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine (CID 102621652) is 3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine.
What is the SMILES notation for 3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine?
The canonical SMILES for 3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine is CCCC1(Cc2cc(F)ccc2Cl)CNC1.
What is the InChIKey of 3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine?
The InChIKey is JRJIXKIJRHYVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-2-5-13(8-16-9-13)7-10-6-11(15)3-4-12(10)14/h3-4,6,16H,2,5,7-9H2,1H3.
What are the key properties of 3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine?
3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine has a molecular weight of 241.74 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine is sourced from PubChem (CID 102621652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).