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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).