2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine

C7H13F2NO — CID 105432624

IUPAC2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNCC(F)(F)C1CCCO1
InChIInChI=1S/C7H13F2NO/c1-10-5-7(8,9)6-3-2-4-11-6/h6,10H,2-5H2,1H3
InChIKeyZUCNRTNPQHACCS-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.02
Rot. Bonds3

About 2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine

2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine (PubChem CID 105432624) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine
PubChem CID105432624
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNCC(F)(F)C1CCCO1
InChIInChI=1S/C7H13F2NO/c1-10-5-7(8,9)6-3-2-4-11-6/h6,10H,2-5H2,1H3
InChIKeyZUCNRTNPQHACCS-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine (CID 105432624) is 2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine is CNCC(F)(F)C1CCCO1.
What is the InChIKey of 2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is ZUCNRTNPQHACCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10-5-7(8,9)6-3-2-4-11-6/h6,10H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine?
2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 165.18 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 105432624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).