4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole

C17H20FNO — CID 102901067

IUPAC4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
SMILESFc1cccc2c1ccn2CC1CCC2(CCCC2)O1
InChIInChI=1S/C17H20FNO/c18-15-4-3-5-16-14(15)7-11-19(16)12-13-6-10-17(20-13)8-1-2-9-17/h3-5,7,11,13H,1-2,6,8-10,12H2
InChIKeyWYQBENKBQQSZJR-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.27
Rot. Bonds2

About 4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole

4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole (PubChem CID 102901067) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole.

Molecular Properties

Compound Name4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
PubChem CID102901067
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
SMILESFc1cccc2c1ccn2CC1CCC2(CCCC2)O1
InChIInChI=1S/C17H20FNO/c18-15-4-3-5-16-14(15)7-11-19(16)12-13-6-10-17(20-13)8-1-2-9-17/h3-5,7,11,13H,1-2,6,8-10,12H2
InChIKeyWYQBENKBQQSZJR-UHFFFAOYSA-N
XLogP4.27
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
CID 102901040
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine
CID 102897950
5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole
CID 102901099
5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid
CID 82792275
N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine
CID 102899593
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-fluoroindole
CID 82782530
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine
CID 102901200
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile
CID 107920440
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrol-2-yl]methyl]ethanamine
CID 102899594
3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one
CID 102897962
[3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898673
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid
CID 102898721

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole?
The IUPAC name of 4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole (CID 102901067) is 4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole.
What is the SMILES notation for 4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole?
The canonical SMILES for 4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole is Fc1cccc2c1ccn2CC1CCC2(CCCC2)O1.
What is the InChIKey of 4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole?
The InChIKey is WYQBENKBQQSZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c18-15-4-3-5-16-14(15)7-11-19(16)12-13-6-10-17(20-13)8-1-2-9-17/h3-5,7,11,13H,1-2,6,8-10,12H2.
What are the key properties of 4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole?
4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole has a molecular weight of 273.35 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole is sourced from PubChem (CID 102901067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).