phenyl N-(2,2,2-trifluoroacetyl)carbamate

C9H6F3NO3 — CID 713766

IUPACphenyl N-(2,2,2-trifluoroacetyl)carbamate
SMILESO=C(NC(=O)C(F)(F)F)Oc1ccccc1
InChIInChI=1S/C9H6F3NO3/c10-9(11,12)7(14)13-8(15)16-6-4-2-1-3-5-6/h1-5H,(H,13,14,15)
InChIKeyOOLKQSXKXURKGW-UHFFFAOYSA-N
MW233.15 g/mol
LogP1.86
Rot. Bonds1

About phenyl N-(2,2,2-trifluoroacetyl)carbamate

phenyl N-(2,2,2-trifluoroacetyl)carbamate (PubChem CID 713766) has the molecular formula C9H6F3NO3 and a molecular weight of 233.15 g/mol. Its IUPAC name is phenyl N-(2,2,2-trifluoroacetyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2,2,2-trifluoroacetyl)carbamate
PubChem CID713766
Molecular FormulaC9H6F3NO3
Molecular Weight233.15 g/mol
Exact Mass233.03
IUPAC Namephenyl N-(2,2,2-trifluoroacetyl)carbamate
SMILESO=C(NC(=O)C(F)(F)F)Oc1ccccc1
InChIInChI=1S/C9H6F3NO3/c10-9(11,12)7(14)13-8(15)16-6-4-2-1-3-5-6/h1-5H,(H,13,14,15)
InChIKeyOOLKQSXKXURKGW-UHFFFAOYSA-N
XLogP1.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(2,2,2-trifluoroacetyl)carbamate?
The IUPAC name of phenyl N-(2,2,2-trifluoroacetyl)carbamate (CID 713766) is phenyl N-(2,2,2-trifluoroacetyl)carbamate.
What is the SMILES notation for phenyl N-(2,2,2-trifluoroacetyl)carbamate?
The canonical SMILES for phenyl N-(2,2,2-trifluoroacetyl)carbamate is O=C(NC(=O)C(F)(F)F)Oc1ccccc1.
What is the InChIKey of phenyl N-(2,2,2-trifluoroacetyl)carbamate?
The InChIKey is OOLKQSXKXURKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO3/c10-9(11,12)7(14)13-8(15)16-6-4-2-1-3-5-6/h1-5H,(H,13,14,15).
What are the key properties of phenyl N-(2,2,2-trifluoroacetyl)carbamate?
phenyl N-(2,2,2-trifluoroacetyl)carbamate has a molecular weight of 233.15 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2,2,2-trifluoroacetyl)carbamate is sourced from PubChem (CID 713766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).