6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one

C14H18FNO — CID 106801628

IUPAC6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
SMILESCCC(=O)CCCN1CCc2ccc(F)cc21
InChIInChI=1S/C14H18FNO/c1-2-13(17)4-3-8-16-9-7-11-5-6-12(15)10-14(11)16/h5-6,10H,2-4,7-9H2,1H3
InChIKeyOGVPMCAQJZHSPQ-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.95
Rot. Bonds5

About 6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one

6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one (PubChem CID 106801628) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one.

Molecular Properties

Compound Name6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
PubChem CID106801628
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
SMILESCCC(=O)CCCN1CCc2ccc(F)cc21
InChIInChI=1S/C14H18FNO/c1-2-13(17)4-3-8-16-9-7-11-5-6-12(15)10-14(11)16/h5-6,10H,2-4,7-9H2,1H3
InChIKeyOGVPMCAQJZHSPQ-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one?
The IUPAC name of 6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one (CID 106801628) is 6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one.
What is the SMILES notation for 6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one?
The canonical SMILES for 6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one is CCC(=O)CCCN1CCc2ccc(F)cc21.
What is the InChIKey of 6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one?
The InChIKey is OGVPMCAQJZHSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-13(17)4-3-8-16-9-7-11-5-6-12(15)10-14(11)16/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one?
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one has a molecular weight of 235.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one is sourced from PubChem (CID 106801628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).