3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one

C10H6F5NO2 — CID 121362148

IUPAC3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one
SMILESO=C1Nc2cccc([C@H](O)C(F)(F)F)c2C1(F)F
InChIInChI=1S/C10H6F5NO2/c11-9(12)6-4(7(17)10(13,14)15)2-1-3-5(6)16-8(9)18/h1-3,7,17H,(H,16,18)/t7-/m0/s1
InChIKeyAUQCBBGQHQTACZ-ZETCQYMHSA-N
MW267.15 g/mol
LogP2.33
Rot. Bonds1

About 3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one

3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one (PubChem CID 121362148) has the molecular formula C10H6F5NO2 and a molecular weight of 267.15 g/mol. Its IUPAC name is 3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one.

Molecular Properties

Compound Name3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one
PubChem CID121362148
Molecular FormulaC10H6F5NO2
Molecular Weight267.15 g/mol
Exact Mass267.03
IUPAC Name3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one
SMILESO=C1Nc2cccc([C@H](O)C(F)(F)F)c2C1(F)F
InChIInChI=1S/C10H6F5NO2/c11-9(12)6-4(7(17)10(13,14)15)2-1-3-5(6)16-8(9)18/h1-3,7,17H,(H,16,18)/t7-/m0/s1
InChIKeyAUQCBBGQHQTACZ-ZETCQYMHSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one?
The IUPAC name of 3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one (CID 121362148) is 3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one.
What is the SMILES notation for 3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one?
The canonical SMILES for 3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one is O=C1Nc2cccc([C@H](O)C(F)(F)F)c2C1(F)F.
What is the InChIKey of 3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one?
The InChIKey is AUQCBBGQHQTACZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H6F5NO2/c11-9(12)6-4(7(17)10(13,14)15)2-1-3-5(6)16-8(9)18/h1-3,7,17H,(H,16,18)/t7-/m0/s1.
What are the key properties of 3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one?
3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one has a molecular weight of 267.15 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-indol-2-one is sourced from PubChem (CID 121362148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).