4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one

C17H11F7N2O2 — CID 121386305

IUPAC4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one
SMILESO=C1N(Cc2cccc(C(F)(F)F)n2)c2cccc(C(O)C(F)F)c2C1(F)F
InChIInChI=1S/C17H11F7N2O2/c18-14(19)13(27)9-4-2-5-10-12(9)16(20,21)15(28)26(10)7-8-3-1-6-11(25-8)17(22,23)24/h1-6,13-14,27H,7H2
InChIKeyMFLHWGIYTKNSCT-UHFFFAOYSA-N
MW408.27 g/mol
LogP4.04
Rot. Bonds4

About 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one

4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one (PubChem CID 121386305) has the molecular formula C17H11F7N2O2 and a molecular weight of 408.27 g/mol. Its IUPAC name is 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one.

Molecular Properties

Compound Name4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one
PubChem CID121386305
Molecular FormulaC17H11F7N2O2
Molecular Weight408.27 g/mol
Exact Mass408.07
IUPAC Name4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one
SMILESO=C1N(Cc2cccc(C(F)(F)F)n2)c2cccc(C(O)C(F)F)c2C1(F)F
InChIInChI=1S/C17H11F7N2O2/c18-14(19)13(27)9-4-2-5-10-12(9)16(20,21)15(28)26(10)7-8-3-1-6-11(25-8)17(22,23)24/h1-6,13-14,27H,7H2
InChIKeyMFLHWGIYTKNSCT-UHFFFAOYSA-N
XLogP4.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one with MolForge

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Related Compounds

1-[(4-chloro-3-pyridinyl)methyl]-4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoroindol-2-one
CID 121362034
1-[(2-chloro-4-pyridinyl)methyl]-4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoroindol-2-one
CID 121362184
3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one
CID 121362070
3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one
CID 121362035
1-[(4-bromo-2-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361983
3,3-difluoro-1-(quinolin-3-ylmethyl)-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]indol-2-one
CID 121361860
6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile
CID 121362151
3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one
CID 121361922
3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361942
3,3-difluoro-1-[(2-fluoro-4-pyridinyl)methyl]-4-[(1R)-1-hydroxyethyl]indol-2-one
CID 121362144
3,3-difluoro-1-[[5-(triazol-2-yl)-3-pyridinyl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]indol-2-one
CID 121361899
3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione
CID 166263412

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one?
The IUPAC name of 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one (CID 121386305) is 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one.
What is the SMILES notation for 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one?
The canonical SMILES for 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one is O=C1N(Cc2cccc(C(F)(F)F)n2)c2cccc(C(O)C(F)F)c2C1(F)F.
What is the InChIKey of 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one?
The InChIKey is MFLHWGIYTKNSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F7N2O2/c18-14(19)13(27)9-4-2-5-10-12(9)16(20,21)15(28)26(10)7-8-3-1-6-11(25-8)17(22,23)24/h1-6,13-14,27H,7H2.
What are the key properties of 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one?
4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one has a molecular weight of 408.27 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one is sourced from PubChem (CID 121386305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).