2,2-difluoro-3-methoxy-N-methylbutan-1-amine

C6H13F2NO — CID 157034903

IUPAC2,2-difluoro-3-methoxy-N-methylbutan-1-amine
SMILESCNCC(F)(F)C(C)OC
InChIInChI=1S/C6H13F2NO/c1-5(10-3)6(7,8)4-9-2/h5,9H,4H2,1-3H3
InChIKeyXQXOISIHGNYSER-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.88
Rot. Bonds4

About 2,2-difluoro-3-methoxy-N-methylbutan-1-amine

2,2-difluoro-3-methoxy-N-methylbutan-1-amine (PubChem CID 157034903) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 2,2-difluoro-3-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-methoxy-N-methylbutan-1-amine
PubChem CID157034903
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name2,2-difluoro-3-methoxy-N-methylbutan-1-amine
SMILESCNCC(F)(F)C(C)OC
InChIInChI=1S/C6H13F2NO/c1-5(10-3)6(7,8)4-9-2/h5,9H,4H2,1-3H3
InChIKeyXQXOISIHGNYSER-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methoxy-N-methylbutan-1-amine?
The IUPAC name of 2,2-difluoro-3-methoxy-N-methylbutan-1-amine (CID 157034903) is 2,2-difluoro-3-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 2,2-difluoro-3-methoxy-N-methylbutan-1-amine is CNCC(F)(F)C(C)OC.
What is the InChIKey of 2,2-difluoro-3-methoxy-N-methylbutan-1-amine?
The InChIKey is XQXOISIHGNYSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-5(10-3)6(7,8)4-9-2/h5,9H,4H2,1-3H3.
What are the key properties of 2,2-difluoro-3-methoxy-N-methylbutan-1-amine?
2,2-difluoro-3-methoxy-N-methylbutan-1-amine has a molecular weight of 153.17 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 157034903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).