4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one

C16H11F5N2O2 — CID 121362099

IUPAC4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one
SMILESO=C1N(Cc2ccc(F)cn2)c2cccc(C(O)C(F)F)c2C1(F)F
InChIInChI=1S/C16H11F5N2O2/c17-8-4-5-9(22-6-8)7-23-11-3-1-2-10(13(24)14(18)19)12(11)16(20,21)15(23)25/h1-6,13-14,24H,7H2
InChIKeyDNCVOOJRDQJNAK-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.16
Rot. Bonds4

About 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one

4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one (PubChem CID 121362099) has the molecular formula C16H11F5N2O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one.

Molecular Properties

Compound Name4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one
PubChem CID121362099
Molecular FormulaC16H11F5N2O2
Molecular Weight358.27 g/mol
Exact Mass358.07
IUPAC Name4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one
SMILESO=C1N(Cc2ccc(F)cn2)c2cccc(C(O)C(F)F)c2C1(F)F
InChIInChI=1S/C16H11F5N2O2/c17-8-4-5-9(22-6-8)7-23-11-3-1-2-10(13(24)14(18)19)12(11)16(20,21)15(23)25/h1-6,13-14,24H,7H2
InChIKeyDNCVOOJRDQJNAK-UHFFFAOYSA-N
XLogP3.16
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one?
The IUPAC name of 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one (CID 121362099) is 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one.
What is the SMILES notation for 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one?
The canonical SMILES for 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one is O=C1N(Cc2ccc(F)cn2)c2cccc(C(O)C(F)F)c2C1(F)F.
What is the InChIKey of 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one?
The InChIKey is DNCVOOJRDQJNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2O2/c17-8-4-5-9(22-6-8)7-23-11-3-1-2-10(13(24)14(18)19)12(11)16(20,21)15(23)25/h1-6,13-14,24H,7H2.
What are the key properties of 4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one?
4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one has a molecular weight of 358.27 g/mol, XLogP of 3.16, 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-[(5-fluoro-2-pyridinyl)methyl]indol-2-one is sourced from PubChem (CID 121362099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).