[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide

C4H4F6NO- — CID 159632774

IUPAC[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide
SMILES[NH-]CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6NO/c5-3(6,7)2(12,1-11)4(8,9)10/h11-12H,1H2/q-1
InChIKeyMPILYKNPJBPVOR-UHFFFAOYSA-N
MW196.07 g/mol
LogP1.89
Rot. Bonds1

About [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide

[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide (PubChem CID 159632774) has the molecular formula C4H4F6NO- and a molecular weight of 196.07 g/mol. Its IUPAC name is [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide.

Molecular Properties

Compound Name[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide
PubChem CID159632774
Molecular FormulaC4H4F6NO-
Molecular Weight196.07 g/mol
Exact Mass196.02
IUPAC Name[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide
SMILES[NH-]CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6NO/c5-3(6,7)2(12,1-11)4(8,9)10/h11-12H,1H2/q-1
InChIKeyMPILYKNPJBPVOR-UHFFFAOYSA-N
XLogP1.89
TPSA44.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.07
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide?
The IUPAC name of [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide (CID 159632774) is [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide.
What is the SMILES notation for [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide?
The canonical SMILES for [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide is [NH-]CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide?
The InChIKey is MPILYKNPJBPVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6NO/c5-3(6,7)2(12,1-11)4(8,9)10/h11-12H,1H2/q-1.
What are the key properties of [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide?
[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide has a molecular weight of 196.07 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide is sourced from PubChem (CID 159632774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).