N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide

C11H10F5NO2 — CID 107479214

IUPACN-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1cc(F)c(F)c(F)c1)N(CCO)CC(F)F
InChIInChI=1S/C11H10F5NO2/c12-7-3-6(4-8(13)10(7)16)11(19)17(1-2-18)5-9(14)15/h3-4,9,18H,1-2,5H2
InChIKeyRYQDPDOEUSKBRU-UHFFFAOYSA-N
MW283.20 g/mol
LogP1.80
Rot. Bonds5

About N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide

N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 107479214) has the molecular formula C11H10F5NO2 and a molecular weight of 283.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide
PubChem CID107479214
Molecular FormulaC11H10F5NO2
Molecular Weight283.20 g/mol
Exact Mass283.06
IUPAC NameN-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1cc(F)c(F)c(F)c1)N(CCO)CC(F)F
InChIInChI=1S/C11H10F5NO2/c12-7-3-6(4-8(13)10(7)16)11(19)17(1-2-18)5-9(14)15/h3-4,9,18H,1-2,5H2
InChIKeyRYQDPDOEUSKBRU-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 107483219
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide
CID 63188458
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide
CID 107486050
3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 107483128
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylsulfonylbenzamide
CID 107477899
N-(2,2-difluoroethyl)-2,3-difluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 107479235
2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide
CID 107479991
N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107479182
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 107486289
N,N-dibutyl-3,4,5-trifluorobenzamide
CID 63188520
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,5-difluorobenzoic acid
CID 107480412
5-chloro-N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 107486316

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide (CID 107479214) is N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide is O=C(c1cc(F)c(F)c(F)c1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is RYQDPDOEUSKBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO2/c12-7-3-6(4-8(13)10(7)16)11(19)17(1-2-18)5-9(14)15/h3-4,9,18H,1-2,5H2.
What are the key properties of N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide?
N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 283.20 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 107479214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).