N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide

C9H8F3NO2 — CID 104917965

IUPACN-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NCC(F)F)c1c(O)cccc1F
InChIInChI=1S/C9H8F3NO2/c10-5-2-1-3-6(14)8(5)9(15)13-4-7(11)12/h1-3,7,14H,4H2,(H,13,15)
InChIKeyHIKKPQAPIPMVNU-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.53
Rot. Bonds3

About N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide

N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide (PubChem CID 104917965) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
PubChem CID104917965
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC NameN-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NCC(F)F)c1c(O)cccc1F
InChIInChI=1S/C9H8F3NO2/c10-5-2-1-3-6(14)8(5)9(15)13-4-7(11)12/h1-3,7,14H,4H2,(H,13,15)
InChIKeyHIKKPQAPIPMVNU-UHFFFAOYSA-N
XLogP1.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409
N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
CID 107012883
2-fluoro-6-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 104920211
2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 104917625
N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide
CID 107016983
2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528795
N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide
CID 107016840
N-(2-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107016981
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxybenzamide
CID 104917526
2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 104920523

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide (CID 104917965) is N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide is O=C(NCC(F)F)c1c(O)cccc1F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is HIKKPQAPIPMVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-5-2-1-3-6(14)8(5)9(15)13-4-7(11)12/h1-3,7,14H,4H2,(H,13,15).
What are the key properties of N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide?
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 219.16 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 104917965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).