(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone

C13H12FNO2 — CID 63839972

IUPAC(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone
SMILESO=C(c1c[nH]c2ccc(F)cc12)C1CCCO1
InChIInChI=1S/C13H12FNO2/c14-8-3-4-11-9(6-8)10(7-15-11)13(16)12-2-1-5-17-12/h3-4,6-7,12,15H,1-2,5H2
InChIKeyBYONYIOAIVCTDX-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.67
Rot. Bonds2

About (5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone

(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone (PubChem CID 63839972) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is (5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone
PubChem CID63839972
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone
SMILESO=C(c1c[nH]c2ccc(F)cc12)C1CCCO1
InChIInChI=1S/C13H12FNO2/c14-8-3-4-11-9(6-8)10(7-15-11)13(16)12-2-1-5-17-12/h3-4,6-7,12,15H,1-2,5H2
InChIKeyBYONYIOAIVCTDX-UHFFFAOYSA-N
XLogP2.67
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63879050
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 110731466
(5-nitro-1H-indol-3-yl)-(oxan-2-yl)methanone
CID 62215299
oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone
CID 80643741
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24824341
(5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone
CID 114824799
2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 946004
1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154926
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
N-cyclopentyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208021

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone (CID 63839972) is (5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone is O=C(c1c[nH]c2ccc(F)cc12)C1CCCO1.
What is the InChIKey of (5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone?
The InChIKey is BYONYIOAIVCTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c14-8-3-4-11-9(6-8)10(7-15-11)13(16)12-2-1-5-17-12/h3-4,6-7,12,15H,1-2,5H2.
What are the key properties of (5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone?
(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone has a molecular weight of 233.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 63839972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).