(4-fluorophenyl) N-(trifluoromethyl)carbamate

C8H5F4NO2 — CID 699075

IUPAC(4-fluorophenyl) N-(trifluoromethyl)carbamate
SMILESO=C(NC(F)(F)F)Oc1ccc(F)cc1
InChIInChI=1S/C8H5F4NO2/c9-5-1-3-6(4-2-5)15-7(14)13-8(10,11)12/h1-4H,(H,13,14)
InChIKeyQRSACOROZJFKDX-UHFFFAOYSA-N
MW223.12 g/mol
LogP2.43
Rot. Bonds1

About (4-fluorophenyl) N-(trifluoromethyl)carbamate

(4-fluorophenyl) N-(trifluoromethyl)carbamate (PubChem CID 699075) has the molecular formula C8H5F4NO2 and a molecular weight of 223.12 g/mol. Its IUPAC name is (4-fluorophenyl) N-(trifluoromethyl)carbamate.

Molecular Properties

Compound Name(4-fluorophenyl) N-(trifluoromethyl)carbamate
PubChem CID699075
Molecular FormulaC8H5F4NO2
Molecular Weight223.12 g/mol
Exact Mass223.03
IUPAC Name(4-fluorophenyl) N-(trifluoromethyl)carbamate
SMILESO=C(NC(F)(F)F)Oc1ccc(F)cc1
InChIInChI=1S/C8H5F4NO2/c9-5-1-3-6(4-2-5)15-7(14)13-8(10,11)12/h1-4H,(H,13,14)
InChIKeyQRSACOROZJFKDX-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) N-(trifluoromethyl)carbamate?
The IUPAC name of (4-fluorophenyl) N-(trifluoromethyl)carbamate (CID 699075) is (4-fluorophenyl) N-(trifluoromethyl)carbamate.
What is the SMILES notation for (4-fluorophenyl) N-(trifluoromethyl)carbamate?
The canonical SMILES for (4-fluorophenyl) N-(trifluoromethyl)carbamate is O=C(NC(F)(F)F)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) N-(trifluoromethyl)carbamate?
The InChIKey is QRSACOROZJFKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO2/c9-5-1-3-6(4-2-5)15-7(14)13-8(10,11)12/h1-4H,(H,13,14).
What are the key properties of (4-fluorophenyl) N-(trifluoromethyl)carbamate?
(4-fluorophenyl) N-(trifluoromethyl)carbamate has a molecular weight of 223.12 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) N-(trifluoromethyl)carbamate is sourced from PubChem (CID 699075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).