CID 58886835

C11H10F3NO — CID 58886835

IUPAC—
SMILES[CH]c1cc(C(=O)N(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO/c1-7-4-8(10(16)15(2)3)6-9(5-7)11(12,13)14/h1,4-6H,2-3H3
InChIKeyQYXWDTXLAPRZAN-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.47
Rot. Bonds1

About CID 58886835

CID 58886835 (PubChem CID 58886835) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol.

Molecular Properties

Compound NameCID 58886835
PubChem CID58886835
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name—
SMILES[CH]c1cc(C(=O)N(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO/c1-7-4-8(10(16)15(2)3)6-9(5-7)11(12,13)14/h1,4-6H,2-3H3
InChIKeyQYXWDTXLAPRZAN-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethynyl-N,N-dimethyl-5-(trifluoromethyl)benzamide
CID 162340862
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 56511666
N-tert-butyl-N-chloro-3,5-bis(trifluoromethyl)benzamide
CID 132849037
5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 70359048
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
N-methoxy-N,3-dimethyl-5-(trifluoromethyl)benzamide
CID 58319295
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-3,5-bis(trifluoromethyl)benzamide
CID 90550067
N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
CID 119442576
N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 39233175
N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 126766047
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate
CID 29406989

Frequently Asked Questions

What is the IUPAC name of CID 58886835?
The IUPAC name of CID 58886835 (CID 58886835) is not available.
What is the SMILES notation for CID 58886835?
The canonical SMILES for CID 58886835 is [CH]c1cc(C(=O)N(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of CID 58886835?
The InChIKey is QYXWDTXLAPRZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-7-4-8(10(16)15(2)3)6-9(5-7)11(12,13)14/h1,4-6H,2-3H3.
What are the key properties of CID 58886835?
CID 58886835 has a molecular weight of 229.20 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58886835 is sourced from PubChem (CID 58886835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).