4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

C5H7F6NO — CID 83916787

IUPAC4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
SMILESNCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H7F6NO/c6-4(7,8)3(13,1-2-12)5(9,10)11/h13H,1-2,12H2
InChIKeyWJWQHPVACSJVMG-UHFFFAOYSA-N
MW211.10 g/mol
LogP1.19
Rot. Bonds2

About 4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol (PubChem CID 83916787) has the molecular formula C5H7F6NO and a molecular weight of 211.10 g/mol. Its IUPAC name is 4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
PubChem CID83916787
Molecular FormulaC5H7F6NO
Molecular Weight211.10 g/mol
Exact Mass211.04
IUPAC Name4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
SMILESNCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H7F6NO/c6-4(7,8)3(13,1-2-12)5(9,10)11/h13H,1-2,12H2
InChIKeyWJWQHPVACSJVMG-UHFFFAOYSA-N
XLogP1.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of 4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol (CID 83916787) is 4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol is NCCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The InChIKey is WJWQHPVACSJVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F6NO/c6-4(7,8)3(13,1-2-12)5(9,10)11/h13H,1-2,12H2.
What are the key properties of 4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol has a molecular weight of 211.10 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 83916787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).