1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol

C7H11F6NO — CID 130418331

IUPAC1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol
SMILESCC(CNCC(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO/c1-4(6(8,9)10)2-14-3-5(15)7(11,12)13/h4-5,14-15H,2-3H2,1H3
InChIKeyBZCYELPLTOELMD-UHFFFAOYSA-N
MW239.16 g/mol
LogP1.70
Rot. Bonds4

About 1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol

1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol (PubChem CID 130418331) has the molecular formula C7H11F6NO and a molecular weight of 239.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol
PubChem CID130418331
Molecular FormulaC7H11F6NO
Molecular Weight239.16 g/mol
Exact Mass239.07
IUPAC Name1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol
SMILESCC(CNCC(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO/c1-4(6(8,9)10)2-14-3-5(15)7(11,12)13/h4-5,14-15H,2-3H2,1H3
InChIKeyBZCYELPLTOELMD-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol (CID 130418331) is 1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol is CC(CNCC(O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol?
The InChIKey is BZCYELPLTOELMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6NO/c1-4(6(8,9)10)2-14-3-5(15)7(11,12)13/h4-5,14-15H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol has a molecular weight of 239.16 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(3,3,3-trifluoro-2-methylpropyl)amino]propan-2-ol is sourced from PubChem (CID 130418331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).