[4-(trifluoromethyl)phenyl] carbonofluoridate

C8H4F4O2 — CID 10774714

IUPAC[4-(trifluoromethyl)phenyl] carbonofluoridate
SMILESO=C(F)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H4F4O2/c9-7(13)14-6-3-1-5(2-4-6)8(10,11)12/h1-4H
InChIKeyMOZMNRLVKQNXPR-UHFFFAOYSA-N
MW208.11 g/mol
LogP3.17
Rot. Bonds1

About [4-(trifluoromethyl)phenyl] carbonofluoridate

[4-(trifluoromethyl)phenyl] carbonofluoridate (PubChem CID 10774714) has the molecular formula C8H4F4O2 and a molecular weight of 208.11 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] carbonofluoridate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] carbonofluoridate
PubChem CID10774714
Molecular FormulaC8H4F4O2
Molecular Weight208.11 g/mol
Exact Mass208.01
IUPAC Name[4-(trifluoromethyl)phenyl] carbonofluoridate
SMILESO=C(F)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H4F4O2/c9-7(13)14-6-3-1-5(2-4-6)8(10,11)12/h1-4H
InChIKeyMOZMNRLVKQNXPR-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(trifluoromethyl)phenyl] carbonofluoridate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] carbonofluoridate?
The IUPAC name of [4-(trifluoromethyl)phenyl] carbonofluoridate (CID 10774714) is [4-(trifluoromethyl)phenyl] carbonofluoridate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] carbonofluoridate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] carbonofluoridate is O=C(F)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] carbonofluoridate?
The InChIKey is MOZMNRLVKQNXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O2/c9-7(13)14-6-3-1-5(2-4-6)8(10,11)12/h1-4H.
What are the key properties of [4-(trifluoromethyl)phenyl] carbonofluoridate?
[4-(trifluoromethyl)phenyl] carbonofluoridate has a molecular weight of 208.11 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] carbonofluoridate is sourced from PubChem (CID 10774714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).