7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole

C14H16FNO — CID 102648261

IUPAC7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole
SMILESFC(C1=CCCCO1)c1cccc2c1NCC2
InChIInChI=1S/C14H16FNO/c15-13(12-6-1-2-9-17-12)11-5-3-4-10-7-8-16-14(10)11/h3-6,13,16H,1-2,7-9H2
InChIKeyILDQUGAPTDBZAV-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.36
Rot. Bonds2

About 7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole

7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole (PubChem CID 102648261) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole
PubChem CID102648261
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole
SMILESFC(C1=CCCCO1)c1cccc2c1NCC2
InChIInChI=1S/C14H16FNO/c15-13(12-6-1-2-9-17-12)11-5-3-4-10-7-8-16-14(10)11/h3-6,13,16H,1-2,7-9H2
InChIKeyILDQUGAPTDBZAV-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 104545426
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
7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 113394348
7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 116507150
7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole
CID 107138259
7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 114523652
(2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol
CID 55278047
7-(1-fluoro-2-pyridin-4-ylethyl)-2,3-dihydro-1H-indole
CID 113394346
7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole
CID 114624523
2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102649829
7-(difluoromethoxy)-2,3-dihydro-1H-indole
CID 16786288

Frequently Asked Questions

What is the IUPAC name of 7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole (CID 102648261) is 7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole is FC(C1=CCCCO1)c1cccc2c1NCC2.
What is the InChIKey of 7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole?
The InChIKey is ILDQUGAPTDBZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-13(12-6-1-2-9-17-12)11-5-3-4-10-7-8-16-14(10)11/h3-6,13,16H,1-2,7-9H2.
What are the key properties of 7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole?
7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole has a molecular weight of 233.29 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 102648261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).