1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine

C10H17F2NO — CID 131001132

IUPAC1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine
SMILESNC(CC1CCOC1)C1CC(F)(F)C1
InChIInChI=1S/C10H17F2NO/c11-10(12)4-8(5-10)9(13)3-7-1-2-14-6-7/h7-9H,1-6,13H2
InChIKeyOCYGJHXYEAJDCQ-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.79
Rot. Bonds3

About 1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine

1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine (PubChem CID 131001132) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine
PubChem CID131001132
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine
SMILESNC(CC1CCOC1)C1CC(F)(F)C1
InChIInChI=1S/C10H17F2NO/c11-10(12)4-8(5-10)9(13)3-7-1-2-14-6-7/h7-9H,1-6,13H2
InChIKeyOCYGJHXYEAJDCQ-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine (CID 131001132) is 1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine is NC(CC1CCOC1)C1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine?
The InChIKey is OCYGJHXYEAJDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c11-10(12)4-8(5-10)9(13)3-7-1-2-14-6-7/h7-9H,1-6,13H2.
What are the key properties of 1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine?
1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine has a molecular weight of 205.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 131001132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).