(6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone

C14H16FNO2 — CID 71933783

IUPAC(6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone
SMILESO=C(C1CCCOC1)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H16FNO2/c15-12-4-3-10-5-6-16(13(10)8-12)14(17)11-2-1-7-18-9-11/h3-4,8,11H,1-2,5-7,9H2
InChIKeySMTDIDDYBROVFC-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.14
Rot. Bonds1

About (6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone

(6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone (PubChem CID 71933783) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is (6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone
PubChem CID71933783
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name(6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone
SMILESO=C(C1CCCOC1)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H16FNO2/c15-12-4-3-10-5-6-16(13(10)8-12)14(17)11-2-1-7-18-9-11/h3-4,8,11H,1-2,5-7,9H2
InChIKeySMTDIDDYBROVFC-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone?
The IUPAC name of (6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone (CID 71933783) is (6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone.
What is the SMILES notation for (6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone?
The canonical SMILES for (6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone is O=C(C1CCCOC1)N1CCc2ccc(F)cc21.
What is the InChIKey of (6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone?
The InChIKey is SMTDIDDYBROVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-12-4-3-10-5-6-16(13(10)8-12)14(17)11-2-1-7-18-9-11/h3-4,8,11H,1-2,5-7,9H2.
What are the key properties of (6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone?
(6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone has a molecular weight of 249.28 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2,3-dihydroindol-1-yl)-(oxan-3-yl)methanone is sourced from PubChem (CID 71933783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).