N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine

C8H17F2NO — CID 88936095

IUPACN-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine
SMILESCOCC(C)(C)CNCC(F)F
InChIInChI=1S/C8H17F2NO/c1-8(2,6-12-3)5-11-4-7(9)10/h7,11H,4-6H2,1-3H3
InChIKeyQBQZCHAIOXHXIB-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.51
Rot. Bonds6

About N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine

N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine (PubChem CID 88936095) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine
PubChem CID88936095
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC NameN-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine
SMILESCOCC(C)(C)CNCC(F)F
InChIInChI=1S/C8H17F2NO/c1-8(2,6-12-3)5-11-4-7(9)10/h7,11H,4-6H2,1-3H3
InChIKeyQBQZCHAIOXHXIB-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine (CID 88936095) is N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine is COCC(C)(C)CNCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine?
The InChIKey is QBQZCHAIOXHXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-8(2,6-12-3)5-11-4-7(9)10/h7,11H,4-6H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine?
N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 88936095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).