1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol

C13H16FNO2 — CID 66361467

IUPAC1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(CC2Cc3cc(F)ccc3O2)C1
InChIInChI=1S/C13H16FNO2/c1-13(16)7-15(8-13)6-11-5-9-4-10(14)2-3-12(9)17-11/h2-4,11,16H,5-8H2,1H3
InChIKeyXTYFWYUAKXJXDF-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.20
Rot. Bonds2

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

1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol (PubChem CID 66361467) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol
PubChem CID66361467
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(CC2Cc3cc(F)ccc3O2)C1
InChIInChI=1S/C13H16FNO2/c1-13(16)7-15(8-13)6-11-5-9-4-10(14)2-3-12(9)17-11/h2-4,11,16H,5-8H2,1H3
InChIKeyXTYFWYUAKXJXDF-UHFFFAOYSA-N
XLogP1.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66362444
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine
CID 66359956
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 66363948
[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782567
1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318637
1-(2-chloroethyl)-4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
CID 66361479
1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine
CID 66366018
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 66365126
3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
CID 66362056
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile
CID 66363731
(NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114501083
1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol
CID 79102300

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol (CID 66361467) is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol is CC1(O)CN(CC2Cc3cc(F)ccc3O2)C1.
What is the InChIKey of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol?
The InChIKey is XTYFWYUAKXJXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-13(16)7-15(8-13)6-11-5-9-4-10(14)2-3-12(9)17-11/h2-4,11,16H,5-8H2,1H3.
What are the key properties of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol?
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol has a molecular weight of 237.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 66361467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).