7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole

C14H18FNO — CID 107138259

IUPAC7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole
SMILESFC(c1cccc2c1NCC2)C1CCCOC1
InChIInChI=1S/C14H18FNO/c15-13(11-4-2-8-17-9-11)12-5-1-3-10-6-7-16-14(10)12/h1,3,5,11,13,16H,2,4,6-9H2
InChIKeyBCNUGKRWEHXFMA-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.09
Rot. Bonds2

About 7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole

7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 107138259) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID107138259
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole
SMILESFC(c1cccc2c1NCC2)C1CCCOC1
InChIInChI=1S/C14H18FNO/c15-13(11-4-2-8-17-9-11)12-5-1-3-10-6-7-16-14(10)12/h1,3,5,11,13,16H,2,4,6-9H2
InChIKeyBCNUGKRWEHXFMA-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine
CID 115042163
7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole
CID 114624523
7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 102648261
7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 116507150
[2,3-dihydro-1-benzofuran-7-yl(oxan-3-yl)methyl]hydrazine
CID 105230130
(2-amino-3-fluorophenyl)-(oxan-3-yl)methanol
CID 105482980
7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 104545426
7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 114523652
7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 113394348
7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 106647083
7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole
CID 113394357
2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine
CID 107136473

Frequently Asked Questions

What is the IUPAC name of 7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole (CID 107138259) is 7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole is FC(c1cccc2c1NCC2)C1CCCOC1.
What is the InChIKey of 7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is BCNUGKRWEHXFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-13(11-4-2-8-17-9-11)12-5-1-3-10-6-7-16-14(10)12/h1,3,5,11,13,16H,2,4,6-9H2.
What are the key properties of 7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole?
7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 235.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 107138259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).