[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone

C14H13F3N2O2 — CID 171512086

IUPAC[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CC(O)(C(F)(F)F)C2)c2ccccc21
InChIInChI=1S/C14H13F3N2O2/c1-18-6-10(9-4-2-3-5-11(9)18)12(20)19-7-13(21,8-19)14(15,16)17/h2-6,21H,7-8H2,1H3
InChIKeyBEWFGNWXCVANJO-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.93
Rot. Bonds1

About [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone

[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone (PubChem CID 171512086) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone
PubChem CID171512086
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CC(O)(C(F)(F)F)C2)c2ccccc21
InChIInChI=1S/C14H13F3N2O2/c1-18-6-10(9-4-2-3-5-11(9)18)12(20)19-7-13(21,8-19)14(15,16)17/h2-6,21H,7-8H2,1H3
InChIKeyBEWFGNWXCVANJO-UHFFFAOYSA-N
XLogP1.93
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone
CID 107406447
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone
CID 164696777
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 29088018
1-methylindole-3-carbothioic S-acid
CID 116918837
(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857099
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800667

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone (CID 171512086) is [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)N2CC(O)(C(F)(F)F)C2)c2ccccc21.
What is the InChIKey of [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is BEWFGNWXCVANJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-18-6-10(9-4-2-3-5-11(9)18)12(20)19-7-13(21,8-19)14(15,16)17/h2-6,21H,7-8H2,1H3.
What are the key properties of [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone?
[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 298.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 171512086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).