3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine

C12H15F2N — CID 79451763

IUPAC3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine
SMILESCCC1(Cc2ccc(F)cc2F)CNC1
InChIInChI=1S/C12H15F2N/c1-2-12(7-15-8-12)6-9-3-4-10(13)5-11(9)14/h3-5,15H,2,6-8H2,1H3
InChIKeyMCWDRHJMDBCZFW-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.51
Rot. Bonds3

About 3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine

3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine (PubChem CID 79451763) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine
PubChem CID79451763
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine
SMILESCCC1(Cc2ccc(F)cc2F)CNC1
InChIInChI=1S/C12H15F2N/c1-2-12(7-15-8-12)6-9-3-4-10(13)5-11(9)14/h3-5,15H,2,6-8H2,1H3
InChIKeyMCWDRHJMDBCZFW-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,4-difluorophenyl)methyl]-3-propylazetidine
CID 79451436
3-[(2,5-difluorophenyl)methyl]-3-propylazetidine
CID 79451845
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 56753257
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 154892250
3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine
CID 102621652
3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
CID 104795594
3-(2-chlorophenyl)-3-[(2,4-difluorophenyl)methyl]azetidine
CID 79460895
[1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine
CID 65401068
ethyl (3S)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 95207559
N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196722
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
CID 102621650
3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine
CID 107310931

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine (CID 79451763) is 3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine is CCC1(Cc2ccc(F)cc2F)CNC1.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine?
The InChIKey is MCWDRHJMDBCZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-2-12(7-15-8-12)6-9-3-4-10(13)5-11(9)14/h3-5,15H,2,6-8H2,1H3.
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine?
3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine has a molecular weight of 211.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine is sourced from PubChem (CID 79451763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).