N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide

C8H7BrF7NO2 — CID 114033006

IUPACN-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CBr)CN(CC(F)(F)F)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H7BrF7NO2/c9-1-4(18)2-17(3-7(12,13)14)6(19)8(15,16)5(10)11/h5H,1-3H2
InChIKeyUPMPAMBGNZBZAC-UHFFFAOYSA-N
MW362.04 g/mol
LogP2.24
Rot. Bonds6

About N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide

N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 114033006) has the molecular formula C8H7BrF7NO2 and a molecular weight of 362.04 g/mol. Its IUPAC name is N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID114033006
Molecular FormulaC8H7BrF7NO2
Molecular Weight362.04 g/mol
Exact Mass360.95
IUPAC NameN-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CBr)CN(CC(F)(F)F)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H7BrF7NO2/c9-1-4(18)2-17(3-7(12,13)14)6(19)8(15,16)5(10)11/h5H,1-3H2
InChIKeyUPMPAMBGNZBZAC-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.04
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide (CID 114033006) is N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide is O=C(CBr)CN(CC(F)(F)F)C(=O)C(F)(F)C(F)F.
What is the InChIKey of N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is UPMPAMBGNZBZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF7NO2/c9-1-4(18)2-17(3-7(12,13)14)6(19)8(15,16)5(10)11/h5H,1-3H2.
What are the key properties of N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide?
N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 362.04 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 114033006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).