1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine

C10H15F2NO2 — CID 82006511

IUPAC1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COCC(F)F)oc1C
InChIInChI=1S/C10H15F2NO2/c1-7-8(4-13-2)3-9(15-7)5-14-6-10(11)12/h3,10,13H,4-6H2,1-2H3
InChIKeyWPRVBJDJYQAQLB-UHFFFAOYSA-N
MW219.23 g/mol
LogP2.09
Rot. Bonds6

About 1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine

1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine (PubChem CID 82006511) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
PubChem CID82006511
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COCC(F)F)oc1C
InChIInChI=1S/C10H15F2NO2/c1-7-8(4-13-2)3-9(15-7)5-14-6-10(11)12/h3,10,13H,4-6H2,1-2H3
InChIKeyWPRVBJDJYQAQLB-UHFFFAOYSA-N
XLogP2.09
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 82005396
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 82005395
N-methyl-1-[2-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-3-yl]methanamine
CID 82956639
N-methyl-1-[2-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine
CID 62456148
1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 63937390
N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine
CID 82791959
1-[5-(cyclopentylmethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 66323991
1-[5-[(3,5-difluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62784341
N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine
CID 62457187
1-[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62453040
N-methyl-1-[2-methyl-5-[(2-methylphenoxy)methyl]furan-3-yl]methanamine
CID 62453604
N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 103285697

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine (CID 82006511) is 1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine is CNCc1cc(COCC(F)F)oc1C.
What is the InChIKey of 1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine?
The InChIKey is WPRVBJDJYQAQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-7-8(4-13-2)3-9(15-7)5-14-6-10(11)12/h3,10,13H,4-6H2,1-2H3.
What are the key properties of 1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine?
1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine has a molecular weight of 219.23 g/mol, XLogP of 2.09, 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)-2-methylfuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 82006511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).