2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide

C10H8F5NO2 — CID 103528795

IUPAC2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESO=C(NCC(F)(F)C(F)F)c1c(O)cccc1F
InChIInChI=1S/C10H8F5NO2/c11-5-2-1-3-6(17)7(5)8(18)16-4-10(14,15)9(12)13/h1-3,9,17H,4H2,(H,16,18)
InChIKeyWLXASCOUBVCQPI-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.16
Rot. Bonds4

About 2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide

2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 103528795) has the molecular formula C10H8F5NO2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID103528795
Molecular FormulaC10H8F5NO2
Molecular Weight269.17 g/mol
Exact Mass269.05
IUPAC Name2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESO=C(NCC(F)(F)C(F)F)c1c(O)cccc1F
InChIInChI=1S/C10H8F5NO2/c11-5-2-1-3-6(17)7(5)8(18)16-4-10(14,15)9(12)13/h1-3,9,17H,4H2,(H,16,18)
InChIKeyWLXASCOUBVCQPI-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106291883
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 100615294
2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 114168954
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 104917625
2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 104920591
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxybenzamide
CID 104917526
N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide
CID 104920518
2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 104920523
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 103528795) is 2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide is O=C(NCC(F)(F)C(F)F)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is WLXASCOUBVCQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO2/c11-5-2-1-3-6(17)7(5)8(18)16-4-10(14,15)9(12)13/h1-3,9,17H,4H2,(H,16,18).
What are the key properties of 2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide?
2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 269.17 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 103528795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).