2,2-difluoro-N-methyl-2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine

C10H20F2N2 — CID 170578082

IUPAC2,2-difluoro-N-methyl-2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine
SMILESCNCC(F)(F)C1(C)CN(C(C)C)C1
InChIInChI=1S/C10H20F2N2/c1-8(2)14-6-9(3,7-14)10(11,12)5-13-4/h8,13H,5-7H2,1-4H3
InChIKeyCBOTUOXQNMYYPN-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.57
Rot. Bonds4

About 2,2-difluoro-N-methyl-2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine

2,2-difluoro-N-methyl-2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine (PubChem CID 170578082) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine
PubChem CID170578082
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name2,2-difluoro-N-methyl-2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine
SMILESCNCC(F)(F)C1(C)CN(C(C)C)C1
InChIInChI=1S/C10H20F2N2/c1-8(2)14-6-9(3,7-14)10(11,12)5-13-4/h8,13H,5-7H2,1-4H3
InChIKeyCBOTUOXQNMYYPN-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.57
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-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine (CID 170578082) is 2,2-difluoro-N-methyl-2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine is CNCC(F)(F)C1(C)CN(C(C)C)C1.
What is the InChIKey of 2,2-difluoro-N-methyl-2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine?
The InChIKey is CBOTUOXQNMYYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-8(2)14-6-9(3,7-14)10(11,12)5-13-4/h8,13H,5-7H2,1-4H3.
What are the key properties of 2,2-difluoro-N-methyl-2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine?
2,2-difluoro-N-methyl-2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine has a molecular weight of 206.28 g/mol, XLogP of 1.57, 4 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-(3-methyl-1-propan-2-ylazetidin-3-yl)ethanamine is sourced from PubChem (CID 170578082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).