(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanide

C4H7F3NO- — CID 154457385

IUPAC(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanide
SMILESCC(O)(C[NH-])C(F)(F)F
InChIInChI=1S/C4H7F3NO/c1-3(9,2-8)4(5,6)7/h8-9H,2H2,1H3/q-1
InChIKeyWBNOWCZBULCPHY-UHFFFAOYSA-N
MW142.10 g/mol
LogP1.35
Rot. Bonds1

About (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanide

(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanide (PubChem CID 154457385) has the molecular formula C4H7F3NO- and a molecular weight of 142.10 g/mol. Its IUPAC name is (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanide.

Molecular Properties

Compound Name(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanide
PubChem CID154457385
Molecular FormulaC4H7F3NO-
Molecular Weight142.10 g/mol
Exact Mass142.05
IUPAC Name(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanide
SMILESCC(O)(C[NH-])C(F)(F)F
InChIInChI=1S/C4H7F3NO/c1-3(9,2-8)4(5,6)7/h8-9H,2H2,1H3/q-1
InChIKeyWBNOWCZBULCPHY-UHFFFAOYSA-N
XLogP1.35
TPSA44.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.10
LogP ≤ 51.35
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-methylpropyl)azanide?
The IUPAC name of (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanide (CID 154457385) is (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanide.
What is the SMILES notation for (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanide?
The canonical SMILES for (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanide is CC(O)(C[NH-])C(F)(F)F.
What is the InChIKey of (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanide?
The InChIKey is WBNOWCZBULCPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3NO/c1-3(9,2-8)4(5,6)7/h8-9H,2H2,1H3/q-1.
What are the key properties of (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanide?
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanide has a molecular weight of 142.10 g/mol, XLogP of 1.35, 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-methylpropyl)azanide is sourced from PubChem (CID 154457385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).