3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine

C14H18FNO — CID 79451353

IUPAC3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine
SMILESCCC1(CC2Cc3cc(F)ccc3O2)CNC1
InChIInChI=1S/C14H18FNO/c1-2-14(8-16-9-14)7-12-6-10-5-11(15)3-4-13(10)17-12/h3-5,12,16H,2,6-9H2,1H3
InChIKeyUUUXDZJYMRJQSH-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.52
Rot. Bonds3

About 3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine

3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine (PubChem CID 79451353) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine.

Molecular Properties

Compound Name3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine
PubChem CID79451353
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine
SMILESCCC1(CC2Cc3cc(F)ccc3O2)CNC1
InChIInChI=1S/C14H18FNO/c1-2-14(8-16-9-14)7-12-6-10-5-11(15)3-4-13(10)17-12/h3-5,12,16H,2,6-9H2,1H3
InChIKeyUUUXDZJYMRJQSH-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66362246
[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine
CID 66361314
N-[[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 66360703
1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 66360702
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66362444
3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine
CID 66362469
2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran
CID 126553111
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359131
[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114534064
2-(3-bromobutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360114

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine?
The IUPAC name of 3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine (CID 79451353) is 3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine.
What is the SMILES notation for 3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine?
The canonical SMILES for 3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine is CCC1(CC2Cc3cc(F)ccc3O2)CNC1.
What is the InChIKey of 3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine?
The InChIKey is UUUXDZJYMRJQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-14(8-16-9-14)7-12-6-10-5-11(15)3-4-13(10)17-12/h3-5,12,16H,2,6-9H2,1H3.
What are the key properties of 3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine?
3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine has a molecular weight of 235.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine is sourced from PubChem (CID 79451353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).