2-ethyl-2-[(3-fluorophenyl)methyl]azetidine

C12H16FN — CID 115058779

IUPAC2-ethyl-2-[(3-fluorophenyl)methyl]azetidine
SMILESCCC1(Cc2cccc(F)c2)CCN1
InChIInChI=1S/C12H16FN/c1-2-12(6-7-14-12)9-10-4-3-5-11(13)8-10/h3-5,8,14H,2,6-7,9H2,1H3
InChIKeyBJJVKIDNHKEGFC-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.51
Rot. Bonds3

About 2-ethyl-2-[(3-fluorophenyl)methyl]azetidine

2-ethyl-2-[(3-fluorophenyl)methyl]azetidine (PubChem CID 115058779) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-ethyl-2-[(3-fluorophenyl)methyl]azetidine.

Molecular Properties

Compound Name2-ethyl-2-[(3-fluorophenyl)methyl]azetidine
PubChem CID115058779
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name2-ethyl-2-[(3-fluorophenyl)methyl]azetidine
SMILESCCC1(Cc2cccc(F)c2)CCN1
InChIInChI=1S/C12H16FN/c1-2-12(6-7-14-12)9-10-4-3-5-11(13)8-10/h3-5,8,14H,2,6-7,9H2,1H3
InChIKeyBJJVKIDNHKEGFC-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine
CID 117271498
2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 66467441
2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane
CID 114834360
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
N-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline
CID 83073883
3,3-diethyl-1-(3-fluorophenyl)piperazine
CID 64920188
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315
N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66026247
2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine
CID 114834375
2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 104688287
2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine
CID 106819392
2-[(3-bromo-4-methylphenyl)methyl]-2-ethylpyrrolidine
CID 105411973

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-fluorophenyl)methyl]azetidine?
The IUPAC name of 2-ethyl-2-[(3-fluorophenyl)methyl]azetidine (CID 115058779) is 2-ethyl-2-[(3-fluorophenyl)methyl]azetidine.
What is the SMILES notation for 2-ethyl-2-[(3-fluorophenyl)methyl]azetidine?
The canonical SMILES for 2-ethyl-2-[(3-fluorophenyl)methyl]azetidine is CCC1(Cc2cccc(F)c2)CCN1.
What is the InChIKey of 2-ethyl-2-[(3-fluorophenyl)methyl]azetidine?
The InChIKey is BJJVKIDNHKEGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-2-12(6-7-14-12)9-10-4-3-5-11(13)8-10/h3-5,8,14H,2,6-7,9H2,1H3.
What are the key properties of 2-ethyl-2-[(3-fluorophenyl)methyl]azetidine?
2-ethyl-2-[(3-fluorophenyl)methyl]azetidine has a molecular weight of 193.27 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 2-ethyl-2-[(3-fluorophenyl)methyl]azetidine is sourced from PubChem (CID 115058779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).