2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide

C12H12F5NO2 — CID 43608029

IUPAC2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H12F5NO2/c1-5(2)18(3-4-19)12(20)6-7(13)9(15)11(17)10(16)8(6)14/h5,19H,3-4H2,1-2H3
InChIKeySISURGWOGNWRTF-UHFFFAOYSA-N
MW297.22 g/mol
LogP2.22
Rot. Bonds4

About 2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide

2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide (PubChem CID 43608029) has the molecular formula C12H12F5NO2 and a molecular weight of 297.22 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
PubChem CID43608029
Molecular FormulaC12H12F5NO2
Molecular Weight297.22 g/mol
Exact Mass297.08
IUPAC Name2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H12F5NO2/c1-5(2)18(3-4-19)12(20)6-7(13)9(15)11(17)10(16)8(6)14/h5,19H,3-4H2,1-2H3
InChIKeySISURGWOGNWRTF-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,6-pentafluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040258
N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide
CID 60722923
2,3,4,5,6-pentafluoro-N,N-di(propan-2-yl)benzamide
CID 4575377
N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
CID 43572955
4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 62678688
3-ethyl-N-(2-hydroxyethyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43573763
N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43639218
N-(2-chloroethyl)-2,6-difluoro-3-methyl-N-propan-2-ylbenzamide
CID 82816222
4-amino-N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43643965
N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 43573178
2,4-difluoro-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide
CID 43573536
N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide
CID 43573803

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide (CID 43608029) is 2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide is CC(C)N(CCO)C(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The InChIKey is SISURGWOGNWRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5NO2/c1-5(2)18(3-4-19)12(20)6-7(13)9(15)11(17)10(16)8(6)14/h5,19H,3-4H2,1-2H3.
What are the key properties of 2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide has a molecular weight of 297.22 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 43608029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).