3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde

C10H22F3NO — CID 171530254

IUPAC3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde
SMILESCC.CC(N)C(C)(C)C.O=CC(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O.C2H6/c1-5(7)6(2,3)4;3-2(4,5)1-6;1-2/h5H,7H2,1-4H3;1H;1-2H3
InChIKeyNQZADFPEOGQEFD-UHFFFAOYSA-N
MW229.29 g/mol
LogP3.15
Rot. Bonds

About 3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde

3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde (PubChem CID 171530254) has the molecular formula C10H22F3NO and a molecular weight of 229.29 g/mol. Its IUPAC name is 3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde
PubChem CID171530254
Molecular FormulaC10H22F3NO
Molecular Weight229.29 g/mol
Exact Mass229.17
IUPAC Name3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde
SMILESCC.CC(N)C(C)(C)C.O=CC(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O.C2H6/c1-5(7)6(2,3)4;3-2(4,5)1-6;1-2/h5H,7H2,1-4H3;1H;1-2H3
InChIKeyNQZADFPEOGQEFD-UHFFFAOYSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde (CID 171530254) is 3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde is CC.CC(N)C(C)(C)C.O=CC(F)(F)F.
What is the InChIKey of 3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde?
The InChIKey is NQZADFPEOGQEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2HF3O.C2H6/c1-5(7)6(2,3)4;3-2(4,5)1-6;1-2/h5H,7H2,1-4H3;1H;1-2H3.
What are the key properties of 3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde?
3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde has a molecular weight of 229.29 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 171530254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).