[4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol

C9H11F3N2O — CID 143325753

IUPAC[4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol
SMILESNC(N)(c1ccc(CO)cc1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8(13,14)7-3-1-6(5-15)2-4-7/h1-4,15H,5,13-14H2
InChIKeyAPBZLZNHWRECOZ-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.81
Rot. Bonds2

About [4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol

[4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol (PubChem CID 143325753) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is [4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol
PubChem CID143325753
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name[4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol
SMILESNC(N)(c1ccc(CO)cc1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8(13,14)7-3-1-6(5-15)2-4-7/h1-4,15H,5,13-14H2
InChIKeyAPBZLZNHWRECOZ-UHFFFAOYSA-N
XLogP0.81
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol?
The IUPAC name of [4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol (CID 143325753) is [4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol.
What is the SMILES notation for [4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol?
The canonical SMILES for [4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol is NC(N)(c1ccc(CO)cc1)C(F)(F)F.
What is the InChIKey of [4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol?
The InChIKey is APBZLZNHWRECOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)8(13,14)7-3-1-6(5-15)2-4-7/h1-4,15H,5,13-14H2.
What are the key properties of [4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol?
[4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol has a molecular weight of 220.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-diamino-2,2,2-trifluoroethyl)phenyl]methanol is sourced from PubChem (CID 143325753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).