N-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide

C12H11F3N2O — CID 87513657

IUPACN-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide
SMILESO=C(CC1=CN=C2CC=C(F)C=C12)NCC(F)F
InChIInChI=1S/C12H11F3N2O/c13-8-1-2-10-9(4-8)7(5-16-10)3-12(18)17-6-11(14)15/h1,4-5,11H,2-3,6H2,(H,17,18)
InChIKeyTUFXUDPCICVTJC-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.28
Rot. Bonds4

About N-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide

N-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide (PubChem CID 87513657) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide
PubChem CID87513657
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC NameN-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide
SMILESO=C(CC1=CN=C2CC=C(F)C=C12)NCC(F)F
InChIInChI=1S/C12H11F3N2O/c13-8-1-2-10-9(4-8)7(5-16-10)3-12(18)17-6-11(14)15/h1,4-5,11H,2-3,6H2,(H,17,18)
InChIKeyTUFXUDPCICVTJC-UHFFFAOYSA-N
XLogP2.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide (CID 87513657) is N-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide is O=C(CC1=CN=C2CC=C(F)C=C12)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide?
The InChIKey is TUFXUDPCICVTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-8-1-2-10-9(4-8)7(5-16-10)3-12(18)17-6-11(14)15/h1,4-5,11H,2-3,6H2,(H,17,18).
What are the key properties of N-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide?
N-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide has a molecular weight of 256.23 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide is sourced from PubChem (CID 87513657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).