1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine

C10H12F2N2 — CID 139566322

IUPAC1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine
SMILESCCc1cc(F)c(N2CNC2)c(F)c1
InChIInChI=1S/C10H12F2N2/c1-2-7-3-8(11)10(9(12)4-7)14-5-13-6-14/h3-4,13H,2,5-6H2,1H3
InChIKeySHRBVEYARZXVRF-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.85
Rot. Bonds2

About 1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine

1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine (PubChem CID 139566322) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine.

Molecular Properties

Compound Name1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine
PubChem CID139566322
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine
SMILESCCc1cc(F)c(N2CNC2)c(F)c1
InChIInChI=1S/C10H12F2N2/c1-2-7-3-8(11)10(9(12)4-7)14-5-13-6-14/h3-4,13H,2,5-6H2,1H3
InChIKeySHRBVEYARZXVRF-UHFFFAOYSA-N
XLogP1.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine
CID 178164768
(2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine
CID 59545402
N-[(3,5-difluoro-4-thiomorpholin-4-ylphenyl)methyl]ethanamine
CID 63051774
2-cyclopropyl-5-ethyl-1,3-difluorobenzene
CID 171097226
1-(3-ethyl-5-fluorophenyl)piperazine
CID 84780261
1-ethyl-3,5-difluorobenzene;methanamine
CID 154650973
1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine
CID 118648269
[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol
CID 55146978
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine
CID 107085562
1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine
CID 107083250
1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine
CID 107078854
2,5-diethyl-1-fluoro-3-methoxybenzene
CID 175600199

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine?
The IUPAC name of 1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine (CID 139566322) is 1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine.
What is the SMILES notation for 1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine?
The canonical SMILES for 1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine is CCc1cc(F)c(N2CNC2)c(F)c1.
What is the InChIKey of 1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine?
The InChIKey is SHRBVEYARZXVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c1-2-7-3-8(11)10(9(12)4-7)14-5-13-6-14/h3-4,13H,2,5-6H2,1H3.
What are the key properties of 1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine?
1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine has a molecular weight of 198.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine is sourced from PubChem (CID 139566322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).