3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine

C8H16F2N2O — CID 82718625

IUPAC3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1(CN)NCC(F)F
InChIInChI=1S/C8H16F2N2O/c1-6-8(5-11,2-3-13-6)12-4-7(9)10/h6-7,12H,2-5,11H2,1H3
InChIKeyBXBQAFPHCRKYAX-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.35
Rot. Bonds4

About 3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine

3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine (PubChem CID 82718625) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine
PubChem CID82718625
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1(CN)NCC(F)F
InChIInChI=1S/C8H16F2N2O/c1-6-8(5-11,2-3-13-6)12-4-7(9)10/h6-7,12H,2-5,11H2,1H3
InChIKeyBXBQAFPHCRKYAX-UHFFFAOYSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine (CID 82718625) is 3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine is CC1OCCC1(CN)NCC(F)F.
What is the InChIKey of 3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine?
The InChIKey is BXBQAFPHCRKYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-6-8(5-11,2-3-13-6)12-4-7(9)10/h6-7,12H,2-5,11H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine?
3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine has a molecular weight of 194.22 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 82718625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).