5-(4-fluoroindol-1-yl)pentan-1-ol

C13H16FNO — CID 82791901

IUPAC5-(4-fluoroindol-1-yl)pentan-1-ol
SMILESOCCCCCn1ccc2c(F)cccc21
InChIInChI=1S/C13H16FNO/c14-12-5-4-6-13-11(12)7-9-15(13)8-2-1-3-10-16/h4-7,9,16H,1-3,8,10H2
InChIKeyMENRGOSULVUZAP-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.94
Rot. Bonds5

About 5-(4-fluoroindol-1-yl)pentan-1-ol

5-(4-fluoroindol-1-yl)pentan-1-ol (PubChem CID 82791901) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-(4-fluoroindol-1-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(4-fluoroindol-1-yl)pentan-1-ol
PubChem CID82791901
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name5-(4-fluoroindol-1-yl)pentan-1-ol
SMILESOCCCCCn1ccc2c(F)cccc21
InChIInChI=1S/C13H16FNO/c14-12-5-4-6-13-11(12)7-9-15(13)8-2-1-3-10-16/h4-7,9,16H,1-3,8,10H2
InChIKeyMENRGOSULVUZAP-UHFFFAOYSA-N
XLogP2.94
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoroindol-1-yl)pentan-1-ol?
The IUPAC name of 5-(4-fluoroindol-1-yl)pentan-1-ol (CID 82791901) is 5-(4-fluoroindol-1-yl)pentan-1-ol.
What is the SMILES notation for 5-(4-fluoroindol-1-yl)pentan-1-ol?
The canonical SMILES for 5-(4-fluoroindol-1-yl)pentan-1-ol is OCCCCCn1ccc2c(F)cccc21.
What is the InChIKey of 5-(4-fluoroindol-1-yl)pentan-1-ol?
The InChIKey is MENRGOSULVUZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-12-5-4-6-13-11(12)7-9-15(13)8-2-1-3-10-16/h4-7,9,16H,1-3,8,10H2.
What are the key properties of 5-(4-fluoroindol-1-yl)pentan-1-ol?
5-(4-fluoroindol-1-yl)pentan-1-ol has a molecular weight of 221.28 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroindol-1-yl)pentan-1-ol is sourced from PubChem (CID 82791901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).