2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine

C10H17F2NO — CID 164659616

IUPAC2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine
SMILESCC1(CC(N)C2CCCO2)CC1(F)F
InChIInChI=1S/C10H17F2NO/c1-9(6-10(9,11)12)5-7(13)8-3-2-4-14-8/h7-8H,2-6,13H2,1H3
InChIKeyCGWRECMRCPIMBE-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.93
Rot. Bonds3

About 2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine

2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine (PubChem CID 164659616) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine
PubChem CID164659616
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine
SMILESCC1(CC(N)C2CCCO2)CC1(F)F
InChIInChI=1S/C10H17F2NO/c1-9(6-10(9,11)12)5-7(13)8-3-2-4-14-8/h7-8H,2-6,13H2,1H3
InChIKeyCGWRECMRCPIMBE-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine?
The IUPAC name of 2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine (CID 164659616) is 2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for 2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine is CC1(CC(N)C2CCCO2)CC1(F)F.
What is the InChIKey of 2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine?
The InChIKey is CGWRECMRCPIMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-9(6-10(9,11)12)5-7(13)8-3-2-4-14-8/h7-8H,2-6,13H2,1H3.
What are the key properties of 2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine?
2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine has a molecular weight of 205.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 164659616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).