N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine

C8H14F3N — CID 102263378

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine
SMILESC[C@@H](/N=C/C(F)(F)F)C(C)(C)C
InChIInChI=1S/C8H14F3N/c1-6(7(2,3)4)12-5-8(9,10)11/h5-6H,1-4H3/b12-5+/t6-/m1/s1
InChIKeyQHCYQPNFFINBEY-HDDZKMFUSA-N
MW181.20 g/mol
LogP3.05
Rot. Bonds1

About N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine

N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine (PubChem CID 102263378) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine
PubChem CID102263378
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine
SMILESC[C@@H](/N=C/C(F)(F)F)C(C)(C)C
InChIInChI=1S/C8H14F3N/c1-6(7(2,3)4)12-5-8(9,10)11/h5-6H,1-4H3/b12-5+/t6-/m1/s1
InChIKeyQHCYQPNFFINBEY-HDDZKMFUSA-N
XLogP3.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine (CID 102263378) is N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine is C[C@@H](/N=C/C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine?
The InChIKey is QHCYQPNFFINBEY-HDDZKMFUSA-N. The full InChI is InChI=1S/C8H14F3N/c1-6(7(2,3)4)12-5-8(9,10)11/h5-6H,1-4H3/b12-5+/t6-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine?
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine has a molecular weight of 181.20 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine is sourced from PubChem (CID 102263378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).