2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide

C11H12F3NO4 — CID 103890229

IUPAC2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
SMILESO=C(NCCOCC(F)(F)F)c1c(O)cccc1O
InChIInChI=1S/C11H12F3NO4/c12-11(13,14)6-19-5-4-15-10(18)9-7(16)2-1-3-8(9)17/h1-3,16-17H,4-6H2,(H,15,18)
InChIKeyWCDVYQTYGWIXML-UHFFFAOYSA-N
MW279.21 g/mol
LogP1.41
Rot. Bonds5

About 2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide

2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide (PubChem CID 103890229) has the molecular formula C11H12F3NO4 and a molecular weight of 279.21 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
PubChem CID103890229
Molecular FormulaC11H12F3NO4
Molecular Weight279.21 g/mol
Exact Mass279.07
IUPAC Name2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
SMILESO=C(NCCOCC(F)(F)F)c1c(O)cccc1O
InChIInChI=1S/C11H12F3NO4/c12-11(13,14)6-19-5-4-15-10(18)9-7(16)2-1-3-8(9)17/h1-3,16-17H,4-6H2,(H,15,18)
InChIKeyWCDVYQTYGWIXML-UHFFFAOYSA-N
XLogP1.41
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 62865819
N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide
CID 107017062
N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide
CID 103890690
2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859
2-(3-hydroxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 55220652
4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 136571114
N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide
CID 106307093
4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 63827528
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide
CID 63832136
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615046
6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 66462180
5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride
CID 120620047

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The IUPAC name of 2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide (CID 103890229) is 2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide is O=C(NCCOCC(F)(F)F)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The InChIKey is WCDVYQTYGWIXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4/c12-11(13,14)6-19-5-4-15-10(18)9-7(16)2-1-3-8(9)17/h1-3,16-17H,4-6H2,(H,15,18).
What are the key properties of 2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide has a molecular weight of 279.21 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide is sourced from PubChem (CID 103890229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).