N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine

C11H20F2N2O — CID 176601999

IUPACN-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine
SMILESCC(C)N(CC1NCCC1(F)F)C1COC1
InChIInChI=1S/C11H20F2N2O/c1-8(2)15(9-6-16-7-9)5-10-11(12,13)3-4-14-10/h8-10,14H,3-7H2,1-2H3
InChIKeyALAOBXOWLSCIIH-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.09
Rot. Bonds4

About N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine

N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine (PubChem CID 176601999) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine.

Molecular Properties

Compound NameN-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine
PubChem CID176601999
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC NameN-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine
SMILESCC(C)N(CC1NCCC1(F)F)C1COC1
InChIInChI=1S/C11H20F2N2O/c1-8(2)15(9-6-16-7-9)5-10-11(12,13)3-4-14-10/h8-10,14H,3-7H2,1-2H3
InChIKeyALAOBXOWLSCIIH-UHFFFAOYSA-N
XLogP1.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine?
The IUPAC name of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine (CID 176601999) is N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine.
What is the SMILES notation for N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine?
The canonical SMILES for N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine is CC(C)N(CC1NCCC1(F)F)C1COC1.
What is the InChIKey of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine?
The InChIKey is ALAOBXOWLSCIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-8(2)15(9-6-16-7-9)5-10-11(12,13)3-4-14-10/h8-10,14H,3-7H2,1-2H3.
What are the key properties of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine?
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine has a molecular weight of 234.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine is sourced from PubChem (CID 176601999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).