dimethyl(1,1,1-trifluoropropan-2-ylidene)azanium

C5H9F3N+ — CID 123515784

IUPACdimethyl(1,1,1-trifluoropropan-2-ylidene)azanium
SMILESCC(=[N+](C)C)C(F)(F)F
InChIInChI=1S/C5H9F3N/c1-4(9(2)3)5(6,7)8/h1-3H3/q+1
InChIKeyNWAOHIKTNXOADC-UHFFFAOYSA-N
MW140.13 g/mol
LogP1.28
Rot. Bonds

About dimethyl(1,1,1-trifluoropropan-2-ylidene)azanium

dimethyl(1,1,1-trifluoropropan-2-ylidene)azanium (PubChem CID 123515784) has the molecular formula C5H9F3N+ and a molecular weight of 140.13 g/mol. Its IUPAC name is dimethyl(1,1,1-trifluoropropan-2-ylidene)azanium.

Molecular Properties

Compound Namedimethyl(1,1,1-trifluoropropan-2-ylidene)azanium
PubChem CID123515784
Molecular FormulaC5H9F3N+
Molecular Weight140.13 g/mol
Exact Mass140.07
IUPAC Namedimethyl(1,1,1-trifluoropropan-2-ylidene)azanium
SMILESCC(=[N+](C)C)C(F)(F)F
InChIInChI=1S/C5H9F3N/c1-4(9(2)3)5(6,7)8/h1-3H3/q+1
InChIKeyNWAOHIKTNXOADC-UHFFFAOYSA-N
XLogP1.28
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(1,1,1-trifluoropropan-2-ylidene)azanium?
The IUPAC name of dimethyl(1,1,1-trifluoropropan-2-ylidene)azanium (CID 123515784) is dimethyl(1,1,1-trifluoropropan-2-ylidene)azanium.
What is the SMILES notation for dimethyl(1,1,1-trifluoropropan-2-ylidene)azanium?
The canonical SMILES for dimethyl(1,1,1-trifluoropropan-2-ylidene)azanium is CC(=[N+](C)C)C(F)(F)F.
What is the InChIKey of dimethyl(1,1,1-trifluoropropan-2-ylidene)azanium?
The InChIKey is NWAOHIKTNXOADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N/c1-4(9(2)3)5(6,7)8/h1-3H3/q+1.
What are the key properties of dimethyl(1,1,1-trifluoropropan-2-ylidene)azanium?
dimethyl(1,1,1-trifluoropropan-2-ylidene)azanium has a molecular weight of 140.13 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(1,1,1-trifluoropropan-2-ylidene)azanium is sourced from PubChem (CID 123515784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).