2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol

C10H12F3NO — CID 140971103

IUPAC2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol
SMILESNC(O)(CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)9(14,15)7-6-8-4-2-1-3-5-8/h1-5,15H,6-7,14H2
InChIKeyFLMPCDRRCCFCEG-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.83
Rot. Bonds3

About 2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol

2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol (PubChem CID 140971103) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol.

Molecular Properties

Compound Name2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol
PubChem CID140971103
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol
SMILESNC(O)(CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)9(14,15)7-6-8-4-2-1-3-5-8/h1-5,15H,6-7,14H2
InChIKeyFLMPCDRRCCFCEG-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol?
The IUPAC name of 2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol (CID 140971103) is 2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol.
What is the SMILES notation for 2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol?
The canonical SMILES for 2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol is NC(O)(CCc1ccccc1)C(F)(F)F.
What is the InChIKey of 2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol?
The InChIKey is FLMPCDRRCCFCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)9(14,15)7-6-8-4-2-1-3-5-8/h1-5,15H,6-7,14H2.
What are the key properties of 2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol?
2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol has a molecular weight of 219.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1,1-trifluoro-4-phenylbutan-2-ol is sourced from PubChem (CID 140971103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).