3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol

C13H16FNO — CID 83967143

IUPAC3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol
SMILESCCn1cc(CCCO)c2cccc(F)c21
InChIInChI=1S/C13H16FNO/c1-2-15-9-10(5-4-8-16)11-6-3-7-12(14)13(11)15/h3,6-7,9,16H,2,4-5,8H2,1H3
InChIKeyPMZHYYGUGIQWKB-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.73
Rot. Bonds4

About 3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol

3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol (PubChem CID 83967143) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol
PubChem CID83967143
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol
SMILESCCn1cc(CCCO)c2cccc(F)c21
InChIInChI=1S/C13H16FNO/c1-2-15-9-10(5-4-8-16)11-6-3-7-12(14)13(11)15/h3,6-7,9,16H,2,4-5,8H2,1H3
InChIKeyPMZHYYGUGIQWKB-UHFFFAOYSA-N
XLogP2.73
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethyl-7-fluoroindol-3-yl)methanamine
CID 117182293
3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 117197455
1-ethyl-3-(hydroxymethyl)indol-7-ol
CID 117182594
3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
CID 117197959
(7-chloro-1-ethylindol-3-yl)methanol
CID 83522863
2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid
CID 117197726
3-(2,3-difluorophenyl)propan-1-ol
CID 53434260
3-(3-chloro-1-methylindol-7-yl)propan-1-ol
CID 117321059
1-ethyl-3-(hydroxymethyl)indole-7-carboxylic acid
CID 117182666
3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid
CID 83945437
3-(7-chloro-1-ethylindol-3-yl)propanoic acid
CID 117197744
N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine
CID 82494098

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol?
The IUPAC name of 3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol (CID 83967143) is 3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol?
The canonical SMILES for 3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol is CCn1cc(CCCO)c2cccc(F)c21.
What is the InChIKey of 3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol?
The InChIKey is PMZHYYGUGIQWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-2-15-9-10(5-4-8-16)11-6-3-7-12(14)13(11)15/h3,6-7,9,16H,2,4-5,8H2,1H3.
What are the key properties of 3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol?
3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol has a molecular weight of 221.27 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol is sourced from PubChem (CID 83967143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).