N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride

C8H4F3NO2 — CID 23233797

IUPACN-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride
SMILESO=C(F)N(C(=O)F)c1ccc(F)cc1
InChIInChI=1S/C8H4F3NO2/c9-5-1-3-6(4-2-5)12(7(10)13)8(11)14/h1-4H
InChIKeyPTNMCZBXGFDKEX-UHFFFAOYSA-N
MW203.12 g/mol
LogP2.81
Rot. Bonds1

About N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride

N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride (PubChem CID 23233797) has the molecular formula C8H4F3NO2 and a molecular weight of 203.12 g/mol. Its IUPAC name is N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride.

Molecular Properties

Compound NameN-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride
PubChem CID23233797
Molecular FormulaC8H4F3NO2
Molecular Weight203.12 g/mol
Exact Mass203.02
IUPAC NameN-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride
SMILESO=C(F)N(C(=O)F)c1ccc(F)cc1
InChIInChI=1S/C8H4F3NO2/c9-5-1-3-6(4-2-5)12(7(10)13)8(11)14/h1-4H
InChIKeyPTNMCZBXGFDKEX-UHFFFAOYSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride?
The IUPAC name of N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride (CID 23233797) is N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride.
What is the SMILES notation for N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride?
The canonical SMILES for N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride is O=C(F)N(C(=O)F)c1ccc(F)cc1.
What is the InChIKey of N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride?
The InChIKey is PTNMCZBXGFDKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO2/c9-5-1-3-6(4-2-5)12(7(10)13)8(11)14/h1-4H.
What are the key properties of N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride?
N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride has a molecular weight of 203.12 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride is sourced from PubChem (CID 23233797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).