2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide

C11H10F5NO2 — CID 173119513

IUPAC2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide
SMILESNC(=O)c1c(F)cc(F)cc1C(CCO)C(F)(F)F
InChIInChI=1S/C11H10F5NO2/c12-5-3-6(7(1-2-18)11(14,15)16)9(10(17)19)8(13)4-5/h3-4,7,18H,1-2H2,(H2,17,19)
InChIKeyNIXMLIHOJCYMAB-UHFFFAOYSA-N
MW283.20 g/mol
LogP2.09
Rot. Bonds4

About 2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide

2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide (PubChem CID 173119513) has the molecular formula C11H10F5NO2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide
PubChem CID173119513
Molecular FormulaC11H10F5NO2
Molecular Weight283.20 g/mol
Exact Mass283.06
IUPAC Name2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide
SMILESNC(=O)c1c(F)cc(F)cc1C(CCO)C(F)(F)F
InChIInChI=1S/C11H10F5NO2/c12-5-3-6(7(1-2-18)11(14,15)16)9(10(17)19)8(13)4-5/h3-4,7,18H,1-2H2,(H2,17,19)
InChIKeyNIXMLIHOJCYMAB-UHFFFAOYSA-N
XLogP2.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 143747816
2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66108784
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
(3R)-3-amino-2,2-difluoro-3-(2,3,5-trifluorophenyl)propan-1-ol
CID 131611321
2-(2,4,6-trifluorophenyl)prop-2-enamide
CID 142441728
2,3,5-trifluorobenzene-1,4-dicarboxamide
CID 87161201
N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride
CID 119497329
4-chloro-2,6-difluorobenzamide
CID 22478130
2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 82534397
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide
CID 107845997
1-(2,3,5-trifluorophenyl)propane-1,3-diamine
CID 130900225
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171257013

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide?
The IUPAC name of 2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide (CID 173119513) is 2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide is NC(=O)c1c(F)cc(F)cc1C(CCO)C(F)(F)F.
What is the InChIKey of 2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide?
The InChIKey is NIXMLIHOJCYMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO2/c12-5-3-6(7(1-2-18)11(14,15)16)9(10(17)19)8(13)4-5/h3-4,7,18H,1-2H2,(H2,17,19).
What are the key properties of 2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide?
2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide has a molecular weight of 283.20 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(1,1,1-trifluoro-4-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 173119513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).