(1,1,2-trifluoro-2-methylpropyl)azanide

C4H7F3N- — CID 151642621

IUPAC(1,1,2-trifluoro-2-methylpropyl)azanide
SMILESCC(C)(F)C([NH-])(F)F
InChIInChI=1S/C4H7F3N/c1-3(2,5)4(6,7)8/h8H,1-2H3/q-1
InChIKeyQSVRFMFJPFQMNG-UHFFFAOYSA-N
MW126.10 g/mol
LogP2.38
Rot. Bonds1

About (1,1,2-trifluoro-2-methylpropyl)azanide

(1,1,2-trifluoro-2-methylpropyl)azanide (PubChem CID 151642621) has the molecular formula C4H7F3N- and a molecular weight of 126.10 g/mol. Its IUPAC name is (1,1,2-trifluoro-2-methylpropyl)azanide.

Molecular Properties

Compound Name(1,1,2-trifluoro-2-methylpropyl)azanide
PubChem CID151642621
Molecular FormulaC4H7F3N-
Molecular Weight126.10 g/mol
Exact Mass126.05
IUPAC Name(1,1,2-trifluoro-2-methylpropyl)azanide
SMILESCC(C)(F)C([NH-])(F)F
InChIInChI=1S/C4H7F3N/c1-3(2,5)4(6,7)8/h8H,1-2H3/q-1
InChIKeyQSVRFMFJPFQMNG-UHFFFAOYSA-N
XLogP2.38
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.10
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,1,2-trifluoro-2-methylpropyl)azanide?
The IUPAC name of (1,1,2-trifluoro-2-methylpropyl)azanide (CID 151642621) is (1,1,2-trifluoro-2-methylpropyl)azanide.
What is the SMILES notation for (1,1,2-trifluoro-2-methylpropyl)azanide?
The canonical SMILES for (1,1,2-trifluoro-2-methylpropyl)azanide is CC(C)(F)C([NH-])(F)F.
What is the InChIKey of (1,1,2-trifluoro-2-methylpropyl)azanide?
The InChIKey is QSVRFMFJPFQMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N/c1-3(2,5)4(6,7)8/h8H,1-2H3/q-1.
What are the key properties of (1,1,2-trifluoro-2-methylpropyl)azanide?
(1,1,2-trifluoro-2-methylpropyl)azanide has a molecular weight of 126.10 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2-trifluoro-2-methylpropyl)azanide is sourced from PubChem (CID 151642621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).