2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C10H8F5NO2 — CID 113248488

IUPAC2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C10H8F5NO2/c11-5-1-2-7(12)6(3-5)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18)
InChIKeyIRYWPCUVIJCYFE-UHFFFAOYSA-N
MW269.17 g/mol
LogP1.62
Rot. Bonds3

About 2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 113248488) has the molecular formula C10H8F5NO2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID113248488
Molecular FormulaC10H8F5NO2
Molecular Weight269.17 g/mol
Exact Mass269.05
IUPAC Name2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C10H8F5NO2/c11-5-1-2-7(12)6(3-5)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18)
InChIKeyIRYWPCUVIJCYFE-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723353
N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
CID 120651737
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113263684
N-(4-chloro-2-methylbutyl)-2,5-difluorobenzamide
CID 114306301
N-(2-amino-2-phenylethyl)-2,5-difluorobenzamide
CID 63120448
2,5-difluoro-N-(3-iodopropyl)benzamide
CID 114504363
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103883092
N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide
CID 114310126
2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111479742
2,5-difluoro-N-(4-iodobutyl)benzamide
CID 106846072
4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103876622
2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 103819616

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 113248488) is 2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is O=C(NCC(O)C(F)(F)F)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is IRYWPCUVIJCYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO2/c11-5-1-2-7(12)6(3-5)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18).
What are the key properties of 2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 269.17 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 113248488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).