6-fluoro-3-(oxan-4-ylmethyl)-1H-indole

C14H16FNO — CID 86276665

IUPAC6-fluoro-3-(oxan-4-ylmethyl)-1H-indole
SMILESFc1ccc2c(CC3CCOCC3)c[nH]c2c1
InChIInChI=1S/C14H16FNO/c15-12-1-2-13-11(9-16-14(13)8-12)7-10-3-5-17-6-4-10/h1-2,8-10,16H,3-7H2
InChIKeyMHVCWTVIFZYECE-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.28
Rot. Bonds2

About 6-fluoro-3-(oxan-4-ylmethyl)-1H-indole

6-fluoro-3-(oxan-4-ylmethyl)-1H-indole (PubChem CID 86276665) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 6-fluoro-3-(oxan-4-ylmethyl)-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-(oxan-4-ylmethyl)-1H-indole
PubChem CID86276665
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name6-fluoro-3-(oxan-4-ylmethyl)-1H-indole
SMILESFc1ccc2c(CC3CCOCC3)c[nH]c2c1
InChIInChI=1S/C14H16FNO/c15-12-1-2-13-11(9-16-14(13)8-12)7-10-3-5-17-6-4-10/h1-2,8-10,16H,3-7H2
InChIKeyMHVCWTVIFZYECE-UHFFFAOYSA-N
XLogP3.28
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(oxan-4-ylmethyl)-1H-indole?
The IUPAC name of 6-fluoro-3-(oxan-4-ylmethyl)-1H-indole (CID 86276665) is 6-fluoro-3-(oxan-4-ylmethyl)-1H-indole.
What is the SMILES notation for 6-fluoro-3-(oxan-4-ylmethyl)-1H-indole?
The canonical SMILES for 6-fluoro-3-(oxan-4-ylmethyl)-1H-indole is Fc1ccc2c(CC3CCOCC3)c[nH]c2c1.
What is the InChIKey of 6-fluoro-3-(oxan-4-ylmethyl)-1H-indole?
The InChIKey is MHVCWTVIFZYECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-12-1-2-13-11(9-16-14(13)8-12)7-10-3-5-17-6-4-10/h1-2,8-10,16H,3-7H2.
What are the key properties of 6-fluoro-3-(oxan-4-ylmethyl)-1H-indole?
6-fluoro-3-(oxan-4-ylmethyl)-1H-indole has a molecular weight of 233.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(oxan-4-ylmethyl)-1H-indole is sourced from PubChem (CID 86276665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).