3-[(2,5-difluorophenyl)methyl]-3-propylazetidine

C13H17F2N — CID 79451845

IUPAC3-[(2,5-difluorophenyl)methyl]-3-propylazetidine
SMILESCCCC1(Cc2cc(F)ccc2F)CNC1
InChIInChI=1S/C13H17F2N/c1-2-5-13(8-16-9-13)7-10-6-11(14)3-4-12(10)15/h3-4,6,16H,2,5,7-9H2,1H3
InChIKeyUCGKNZUSFUQTLJ-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.90
Rot. Bonds4

About 3-[(2,5-difluorophenyl)methyl]-3-propylazetidine

3-[(2,5-difluorophenyl)methyl]-3-propylazetidine (PubChem CID 79451845) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]-3-propylazetidine.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]-3-propylazetidine
PubChem CID79451845
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3-[(2,5-difluorophenyl)methyl]-3-propylazetidine
SMILESCCCC1(Cc2cc(F)ccc2F)CNC1
InChIInChI=1S/C13H17F2N/c1-2-5-13(8-16-9-13)7-10-6-11(14)3-4-12(10)15/h3-4,6,16H,2,5,7-9H2,1H3
InChIKeyUCGKNZUSFUQTLJ-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,4-difluorophenyl)methyl]-3-propylazetidine
CID 79451436
3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine
CID 102621652
3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine
CID 79451763
3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine
CID 79451244
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 65194577
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
CID 102621650
2-ethyl-1,4-difluorobenzene
CID 23202513
3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
CID 79460198
3-[(4-methylphenyl)methyl]-3-propylazetidine
CID 79451840
[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65390913
3-[(3,4-dichlorophenyl)methyl]-3-propylazetidine
CID 79451841

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]-3-propylazetidine?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]-3-propylazetidine (CID 79451845) is 3-[(2,5-difluorophenyl)methyl]-3-propylazetidine.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]-3-propylazetidine?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]-3-propylazetidine is CCCC1(Cc2cc(F)ccc2F)CNC1.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]-3-propylazetidine?
The InChIKey is UCGKNZUSFUQTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-2-5-13(8-16-9-13)7-10-6-11(14)3-4-12(10)15/h3-4,6,16H,2,5,7-9H2,1H3.
What are the key properties of 3-[(2,5-difluorophenyl)methyl]-3-propylazetidine?
3-[(2,5-difluorophenyl)methyl]-3-propylazetidine has a molecular weight of 225.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]-3-propylazetidine is sourced from PubChem (CID 79451845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).