aniline;2,2,2-trifluoroethanol

C8H10F3NO — CID 86759490

IUPACaniline;2,2,2-trifluoroethanol
SMILESNc1ccccc1.OCC(F)(F)F
InChIInChI=1S/C6H7N.C2H3F3O/c7-6-4-2-1-3-5-6;3-2(4,5)1-6/h1-5H,7H2;6H,1H2
InChIKeyJBXPPDVWDDYUCS-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.81
Rot. Bonds

About aniline;2,2,2-trifluoroethanol

aniline;2,2,2-trifluoroethanol (PubChem CID 86759490) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is aniline;2,2,2-trifluoroethanol.

Molecular Properties

Compound Nameaniline;2,2,2-trifluoroethanol
PubChem CID86759490
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Nameaniline;2,2,2-trifluoroethanol
SMILESNc1ccccc1.OCC(F)(F)F
InChIInChI=1S/C6H7N.C2H3F3O/c7-6-4-2-1-3-5-6;3-2(4,5)1-6/h1-5H,7H2;6H,1H2
InChIKeyJBXPPDVWDDYUCS-UHFFFAOYSA-N
XLogP1.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aniline;2,2,2-trifluoroethanol?
The IUPAC name of aniline;2,2,2-trifluoroethanol (CID 86759490) is aniline;2,2,2-trifluoroethanol.
What is the SMILES notation for aniline;2,2,2-trifluoroethanol?
The canonical SMILES for aniline;2,2,2-trifluoroethanol is Nc1ccccc1.OCC(F)(F)F.
What is the InChIKey of aniline;2,2,2-trifluoroethanol?
The InChIKey is JBXPPDVWDDYUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C2H3F3O/c7-6-4-2-1-3-5-6;3-2(4,5)1-6/h1-5H,7H2;6H,1H2.
What are the key properties of aniline;2,2,2-trifluoroethanol?
aniline;2,2,2-trifluoroethanol has a molecular weight of 193.17 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;2,2,2-trifluoroethanol is sourced from PubChem (CID 86759490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).