6-(6-fluoroindol-1-yl)hexan-2-one

C14H16FNO — CID 62025777

IUPAC6-(6-fluoroindol-1-yl)hexan-2-one
SMILESCC(=O)CCCCn1ccc2ccc(F)cc21
InChIInChI=1S/C14H16FNO/c1-11(17)4-2-3-8-16-9-7-12-5-6-13(15)10-14(12)16/h5-7,9-10H,2-4,8H2,1H3
InChIKeyHDLZEMDHUQJKOH-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.54
Rot. Bonds5

About 6-(6-fluoroindol-1-yl)hexan-2-one

6-(6-fluoroindol-1-yl)hexan-2-one (PubChem CID 62025777) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 6-(6-fluoroindol-1-yl)hexan-2-one.

Molecular Properties

Compound Name6-(6-fluoroindol-1-yl)hexan-2-one
PubChem CID62025777
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name6-(6-fluoroindol-1-yl)hexan-2-one
SMILESCC(=O)CCCCn1ccc2ccc(F)cc21
InChIInChI=1S/C14H16FNO/c1-11(17)4-2-3-8-16-9-7-12-5-6-13(15)10-14(12)16/h5-7,9-10H,2-4,8H2,1H3
InChIKeyHDLZEMDHUQJKOH-UHFFFAOYSA-N
XLogP3.54
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-1-nonylindole
CID 116619867
5-(6-chloroindol-1-yl)pentan-2-one
CID 62023769
3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine
CID 62564082
6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725
2-(6-fluoroindol-1-yl)acetic acid
CID 6498201
6-fluoro-1-pent-4-ynylindole
CID 116620040
3-(6-fluoroindol-1-yl)propanal
CID 63040201
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
6-(5-nitroindol-1-yl)hexan-2-one
CID 62023942
1-(6-fluoroindol-1-yl)propan-2-ol
CID 10488020
5-(6-chloroindol-1-yl)pentanamide
CID 114281787
N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide
CID 116619982

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoroindol-1-yl)hexan-2-one?
The IUPAC name of 6-(6-fluoroindol-1-yl)hexan-2-one (CID 62025777) is 6-(6-fluoroindol-1-yl)hexan-2-one.
What is the SMILES notation for 6-(6-fluoroindol-1-yl)hexan-2-one?
The canonical SMILES for 6-(6-fluoroindol-1-yl)hexan-2-one is CC(=O)CCCCn1ccc2ccc(F)cc21.
What is the InChIKey of 6-(6-fluoroindol-1-yl)hexan-2-one?
The InChIKey is HDLZEMDHUQJKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-11(17)4-2-3-8-16-9-7-12-5-6-13(15)10-14(12)16/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of 6-(6-fluoroindol-1-yl)hexan-2-one?
6-(6-fluoroindol-1-yl)hexan-2-one has a molecular weight of 233.29 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoroindol-1-yl)hexan-2-one is sourced from PubChem (CID 62025777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).