phenol;2,2,2-trifluoroacetamide

C8H8F3NO2 — CID 87432417

IUPACphenol;2,2,2-trifluoroacetamide
SMILESNC(=O)C(F)(F)F.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H2F3NO/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5,7H;(H2,6,7)
InChIKeyPMOQSBWFSIZDGQ-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.43
Rot. Bonds

About phenol;2,2,2-trifluoroacetamide

phenol;2,2,2-trifluoroacetamide (PubChem CID 87432417) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is phenol;2,2,2-trifluoroacetamide.

Molecular Properties

Compound Namephenol;2,2,2-trifluoroacetamide
PubChem CID87432417
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Namephenol;2,2,2-trifluoroacetamide
SMILESNC(=O)C(F)(F)F.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H2F3NO/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5,7H;(H2,6,7)
InChIKeyPMOQSBWFSIZDGQ-UHFFFAOYSA-N
XLogP1.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenol;2,2,2-trifluoroacetamide?
The IUPAC name of phenol;2,2,2-trifluoroacetamide (CID 87432417) is phenol;2,2,2-trifluoroacetamide.
What is the SMILES notation for phenol;2,2,2-trifluoroacetamide?
The canonical SMILES for phenol;2,2,2-trifluoroacetamide is NC(=O)C(F)(F)F.Oc1ccccc1.
What is the InChIKey of phenol;2,2,2-trifluoroacetamide?
The InChIKey is PMOQSBWFSIZDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C2H2F3NO/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5,7H;(H2,6,7).
What are the key properties of phenol;2,2,2-trifluoroacetamide?
phenol;2,2,2-trifluoroacetamide has a molecular weight of 207.15 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;2,2,2-trifluoroacetamide is sourced from PubChem (CID 87432417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).