(6-fluoro-3H-inden-1-yl) butanoate

C13H13FO2 — CID 174543457

IUPAC(6-fluoro-3H-inden-1-yl) butanoate
SMILESCCCC(=O)OC1=CCc2ccc(F)cc21
InChIInChI=1S/C13H13FO2/c1-2-3-13(15)16-12-7-5-9-4-6-10(14)8-11(9)12/h4,6-8H,2-3,5H2,1H3
InChIKeyCVCDNZSUUCBRBO-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.07
Rot. Bonds3

About (6-fluoro-3H-inden-1-yl) butanoate

(6-fluoro-3H-inden-1-yl) butanoate (PubChem CID 174543457) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is (6-fluoro-3H-inden-1-yl) butanoate.

Molecular Properties

Compound Name(6-fluoro-3H-inden-1-yl) butanoate
PubChem CID174543457
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name(6-fluoro-3H-inden-1-yl) butanoate
SMILESCCCC(=O)OC1=CCc2ccc(F)cc21
InChIInChI=1S/C13H13FO2/c1-2-3-13(15)16-12-7-5-9-4-6-10(14)8-11(9)12/h4,6-8H,2-3,5H2,1H3
InChIKeyCVCDNZSUUCBRBO-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl) butanoate
CID 151885359
(2-bromo-4-fluorophenyl) butanoate
CID 537734
3-but-3-en-2-yloxy-5-fluoro-1H-indene
CID 10679702
(2,6-dihydroxyphenyl) butanoate
CID 91363565
methyl (2S,5S)-6-(6-fluoro-3H-inden-1-yl)-2,5-dimethylhexanoate
CID 158601352
(4-fluoro-2-nonanoyloxyphenyl) nonanoate
CID 142724563
cobalt;5-fluoro-3-propyl-1H-indene
CID 58657549
[2-fluoro-4-(4-fluorophenyl)phenyl] butanoate;[2-fluoro-4-(4-fluorophenyl)phenyl] propanoate
CID 23174129
2-(6-fluoro-3H-inden-1-yl)-2-methylpropan-1-amine
CID 105457773
2-butyl-7-fluoro-1,4-dihydronaphthalene
CID 139961729
(2-butanoyloxy-3-methoxyphenyl) butanoate
CID 140675737
phenyl butanoate
CID 20354

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3H-inden-1-yl) butanoate?
The IUPAC name of (6-fluoro-3H-inden-1-yl) butanoate (CID 174543457) is (6-fluoro-3H-inden-1-yl) butanoate.
What is the SMILES notation for (6-fluoro-3H-inden-1-yl) butanoate?
The canonical SMILES for (6-fluoro-3H-inden-1-yl) butanoate is CCCC(=O)OC1=CCc2ccc(F)cc21.
What is the InChIKey of (6-fluoro-3H-inden-1-yl) butanoate?
The InChIKey is CVCDNZSUUCBRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c1-2-3-13(15)16-12-7-5-9-4-6-10(14)8-11(9)12/h4,6-8H,2-3,5H2,1H3.
What are the key properties of (6-fluoro-3H-inden-1-yl) butanoate?
(6-fluoro-3H-inden-1-yl) butanoate has a molecular weight of 220.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3H-inden-1-yl) butanoate is sourced from PubChem (CID 174543457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).