[2-amino-3,4-bis(trifluoromethyl)phenyl]methanol

C9H7F6NO — CID 119023402

IUPAC[2-amino-3,4-bis(trifluoromethyl)phenyl]methanol
SMILESNc1c(CO)ccc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H7F6NO/c10-8(11,12)5-2-1-4(3-17)7(16)6(5)9(13,14)15/h1-2,17H,3,16H2
InChIKeyQGNSQNBZVGKTEF-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.80
Rot. Bonds1

About [2-amino-3,4-bis(trifluoromethyl)phenyl]methanol

[2-amino-3,4-bis(trifluoromethyl)phenyl]methanol (PubChem CID 119023402) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is [2-amino-3,4-bis(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-amino-3,4-bis(trifluoromethyl)phenyl]methanol
PubChem CID119023402
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC Name[2-amino-3,4-bis(trifluoromethyl)phenyl]methanol
SMILESNc1c(CO)ccc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H7F6NO/c10-8(11,12)5-2-1-4(3-17)7(16)6(5)9(13,14)15/h1-2,17H,3,16H2
InChIKeyQGNSQNBZVGKTEF-UHFFFAOYSA-N
XLogP2.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.80
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 [2-amino-3,4-bis(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-amino-3,4-bis(trifluoromethyl)phenyl]methanol (CID 119023402) is [2-amino-3,4-bis(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-amino-3,4-bis(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-amino-3,4-bis(trifluoromethyl)phenyl]methanol is Nc1c(CO)ccc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of [2-amino-3,4-bis(trifluoromethyl)phenyl]methanol?
The InChIKey is QGNSQNBZVGKTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO/c10-8(11,12)5-2-1-4(3-17)7(16)6(5)9(13,14)15/h1-2,17H,3,16H2.
What are the key properties of [2-amino-3,4-bis(trifluoromethyl)phenyl]methanol?
[2-amino-3,4-bis(trifluoromethyl)phenyl]methanol has a molecular weight of 259.15 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3,4-bis(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 119023402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).