4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one

C10H6F5NO2 — CID 121361828

IUPAC4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one
SMILESO=C1Nc2c(F)ccc(C(O)C(F)F)c2C1(F)F
InChIInChI=1S/C10H6F5NO2/c11-4-2-1-3(7(17)8(12)13)5-6(4)16-9(18)10(5,14)15/h1-2,7-8,17H,(H,16,18)
InChIKeyJIIFWXVCRPZPHR-UHFFFAOYSA-N
MW267.15 g/mol
LogP2.17
Rot. Bonds2

About 4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one

4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one (PubChem CID 121361828) has the molecular formula C10H6F5NO2 and a molecular weight of 267.15 g/mol. Its IUPAC name is 4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one.

Molecular Properties

Compound Name4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one
PubChem CID121361828
Molecular FormulaC10H6F5NO2
Molecular Weight267.15 g/mol
Exact Mass267.03
IUPAC Name4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one
SMILESO=C1Nc2c(F)ccc(C(O)C(F)F)c2C1(F)F
InChIInChI=1S/C10H6F5NO2/c11-4-2-1-3(7(17)8(12)13)5-6(4)16-9(18)10(5,14)15/h1-2,7-8,17H,(H,16,18)
InChIKeyJIIFWXVCRPZPHR-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one?
The IUPAC name of 4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one (CID 121361828) is 4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one.
What is the SMILES notation for 4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one?
The canonical SMILES for 4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one is O=C1Nc2c(F)ccc(C(O)C(F)F)c2C1(F)F.
What is the InChIKey of 4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one?
The InChIKey is JIIFWXVCRPZPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F5NO2/c11-4-2-1-3(7(17)8(12)13)5-6(4)16-9(18)10(5,14)15/h1-2,7-8,17H,(H,16,18).
What are the key properties of 4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one?
4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one has a molecular weight of 267.15 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1H-indol-2-one is sourced from PubChem (CID 121361828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).