5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide

C10H10F4N2O2 — CID 55136526

IUPAC5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide
SMILESNC(=O)c1cc(N)ccc1OCC(F)(F)C(F)F
InChIInChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)4-18-7-2-1-5(15)3-6(7)8(16)17/h1-3,9H,4,15H2,(H2,16,17)
InChIKeyYIEAFHDRAYMAAA-UHFFFAOYSA-N
MW266.19 g/mol
LogP1.65
Rot. Bonds5

About 5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide

5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide (PubChem CID 55136526) has the molecular formula C10H10F4N2O2 and a molecular weight of 266.19 g/mol. Its IUPAC name is 5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide.

Molecular Properties

Compound Name5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide
PubChem CID55136526
Molecular FormulaC10H10F4N2O2
Molecular Weight266.19 g/mol
Exact Mass266.07
IUPAC Name5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide
SMILESNC(=O)c1cc(N)ccc1OCC(F)(F)C(F)F
InChIInChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)4-18-7-2-1-5(15)3-6(7)8(16)17/h1-3,9H,4,15H2,(H2,16,17)
InChIKeyYIEAFHDRAYMAAA-UHFFFAOYSA-N
XLogP1.65
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2,2,2-trifluoroethoxy)benzamide
CID 61312859
2-(2,2,3,3-tetrafluoropropoxy)benzenecarbothioamide
CID 29004799
5-amino-2-(3-amino-3-oxopropoxy)benzamide
CID 106956094
5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
5-amino-2-butoxybenzamide
CID 61305277
5-amino-2-(3-methylsulfonylpropoxy)benzamide
CID 106956095
3-fluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarbothioamide
CID 43658096
5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide
CID 106956198
5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289101
ethyl 2-(2,2,3,3-tetrafluoropropoxy)benzoate
CID 19622898
5-amino-2-(2-methylpentoxy)benzamide
CID 103284499
5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide
CID 106956131

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide?
The IUPAC name of 5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide (CID 55136526) is 5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide.
What is the SMILES notation for 5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide?
The canonical SMILES for 5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide is NC(=O)c1cc(N)ccc1OCC(F)(F)C(F)F.
What is the InChIKey of 5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide?
The InChIKey is YIEAFHDRAYMAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)4-18-7-2-1-5(15)3-6(7)8(16)17/h1-3,9H,4,15H2,(H2,16,17).
What are the key properties of 5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide?
5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide has a molecular weight of 266.19 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide is sourced from PubChem (CID 55136526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).