3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine

C10H19F2NO — CID 165462484

IUPAC3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine
SMILESC=CC(C)(C)COCC(F)(F)CNC
InChIInChI=1S/C10H19F2NO/c1-5-9(2,3)7-14-8-10(11,12)6-13-4/h5,13H,1,6-8H2,2-4H3
InChIKeyGKTBECCHLHXPIW-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.07
Rot. Bonds7

About 3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine

3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine (PubChem CID 165462484) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine
PubChem CID165462484
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine
SMILESC=CC(C)(C)COCC(F)(F)CNC
InChIInChI=1S/C10H19F2NO/c1-5-9(2,3)7-14-8-10(11,12)6-13-4/h5,13H,1,6-8H2,2-4H3
InChIKeyGKTBECCHLHXPIW-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine?
The IUPAC name of 3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine (CID 165462484) is 3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine is C=CC(C)(C)COCC(F)(F)CNC.
What is the InChIKey of 3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine?
The InChIKey is GKTBECCHLHXPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-5-9(2,3)7-14-8-10(11,12)6-13-4/h5,13H,1,6-8H2,2-4H3.
What are the key properties of 3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine?
3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbut-3-enoxy)-2,2-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 165462484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).