1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine

C9H17F2NO2 — CID 82005877

IUPAC1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine
SMILESCNCC1CCC(COCC(F)F)O1
InChIInChI=1S/C9H17F2NO2/c1-12-4-7-2-3-8(14-7)5-13-6-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyAFFVJPWIHKLRNK-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.04
Rot. Bonds6

About 1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine

1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine (PubChem CID 82005877) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine
PubChem CID82005877
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine
SMILESCNCC1CCC(COCC(F)F)O1
InChIInChI=1S/C9H17F2NO2/c1-12-4-7-2-3-8(14-7)5-13-6-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyAFFVJPWIHKLRNK-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine (CID 82005877) is 1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine is CNCC1CCC(COCC(F)F)O1.
What is the InChIKey of 1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine?
The InChIKey is AFFVJPWIHKLRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-12-4-7-2-3-8(14-7)5-13-6-9(10)11/h7-9,12H,2-6H2,1H3.
What are the key properties of 1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine?
1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine has a molecular weight of 209.24 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 82005877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).