5-fluoro-1-(2-propan-2-yloxyethyl)indole

C13H16FNO — CID 55258510

IUPAC5-fluoro-1-(2-propan-2-yloxyethyl)indole
SMILESCC(C)OCCn1ccc2cc(F)ccc21
InChIInChI=1S/C13H16FNO/c1-10(2)16-8-7-15-6-5-11-9-12(14)3-4-13(11)15/h3-6,9-10H,7-8H2,1-2H3
InChIKeyYCFMOKRZVYNNTJ-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.21
Rot. Bonds4

About 5-fluoro-1-(2-propan-2-yloxyethyl)indole

5-fluoro-1-(2-propan-2-yloxyethyl)indole (PubChem CID 55258510) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-fluoro-1-(2-propan-2-yloxyethyl)indole.

Molecular Properties

Compound Name5-fluoro-1-(2-propan-2-yloxyethyl)indole
PubChem CID55258510
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name5-fluoro-1-(2-propan-2-yloxyethyl)indole
SMILESCC(C)OCCn1ccc2cc(F)ccc21
InChIInChI=1S/C13H16FNO/c1-10(2)16-8-7-15-6-5-11-9-12(14)3-4-13(11)15/h3-6,9-10H,7-8H2,1-2H3
InChIKeyYCFMOKRZVYNNTJ-UHFFFAOYSA-N
XLogP3.21
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-(2-propan-2-yloxyethyl)indole
CID 116623109
(2S)-1-(5-fluoroindol-1-yl)propan-2-ol
CID 54045711
5-fluoro-1-(2-phenylmethoxyethyl)indole
CID 174572169
3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 63850949
1-(5-fluoroindol-1-yl)-3-methylbutan-2-one
CID 79395580
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
CID 107917142
1-[(2-bromo-4-fluorophenyl)methyl]-5-fluoroindole
CID 63851490
1-(2-methoxyethyl)-5-propan-2-yloxyindole
CID 116625827
5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole
CID 104794968
3-(5-fluoroindol-1-yl)-2-methylpropanamide
CID 63850136
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
2-(5-fluoroindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 63850467

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-propan-2-yloxyethyl)indole?
The IUPAC name of 5-fluoro-1-(2-propan-2-yloxyethyl)indole (CID 55258510) is 5-fluoro-1-(2-propan-2-yloxyethyl)indole.
What is the SMILES notation for 5-fluoro-1-(2-propan-2-yloxyethyl)indole?
The canonical SMILES for 5-fluoro-1-(2-propan-2-yloxyethyl)indole is CC(C)OCCn1ccc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-(2-propan-2-yloxyethyl)indole?
The InChIKey is YCFMOKRZVYNNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-10(2)16-8-7-15-6-5-11-9-12(14)3-4-13(11)15/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 5-fluoro-1-(2-propan-2-yloxyethyl)indole?
5-fluoro-1-(2-propan-2-yloxyethyl)indole has a molecular weight of 221.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-propan-2-yloxyethyl)indole is sourced from PubChem (CID 55258510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).