N-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide

C9H8BrF2NO2 — CID 168653329

IUPACN-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide
SMILESO=CNc1cccc(OCC(F)F)c1Br
InChIInChI=1S/C9H8BrF2NO2/c10-9-6(13-5-14)2-1-3-7(9)15-4-8(11)12/h1-3,5,8H,4H2,(H,13,14)
InChIKeyRVRMUQKPYUDYMK-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.66
Rot. Bonds5

About N-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide

N-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide (PubChem CID 168653329) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is N-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide.

Molecular Properties

Compound NameN-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide
PubChem CID168653329
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC NameN-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide
SMILESO=CNc1cccc(OCC(F)F)c1Br
InChIInChI=1S/C9H8BrF2NO2/c10-9-6(13-5-14)2-1-3-7(9)15-4-8(11)12/h1-3,5,8H,4H2,(H,13,14)
InChIKeyRVRMUQKPYUDYMK-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide?
The IUPAC name of N-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide (CID 168653329) is N-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide.
What is the SMILES notation for N-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide?
The canonical SMILES for N-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide is O=CNc1cccc(OCC(F)F)c1Br.
What is the InChIKey of N-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide?
The InChIKey is RVRMUQKPYUDYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c10-9-6(13-5-14)2-1-3-7(9)15-4-8(11)12/h1-3,5,8H,4H2,(H,13,14).
What are the key properties of N-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide?
N-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide has a molecular weight of 280.07 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide is sourced from PubChem (CID 168653329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).