[2-(2,2-difluoroethoxymethyl)phenyl]methanamine

C10H13F2NO — CID 82005242

IUPAC[2-(2,2-difluoroethoxymethyl)phenyl]methanamine
SMILESNCc1ccccc1COCC(F)F
InChIInChI=1S/C10H13F2NO/c11-10(12)7-14-6-9-4-2-1-3-8(9)5-13/h1-4,10H,5-7,13H2
InChIKeyDMPVJJUNEOUPRK-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.93
Rot. Bonds5

About [2-(2,2-difluoroethoxymethyl)phenyl]methanamine

[2-(2,2-difluoroethoxymethyl)phenyl]methanamine (PubChem CID 82005242) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is [2-(2,2-difluoroethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2,2-difluoroethoxymethyl)phenyl]methanamine
PubChem CID82005242
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[2-(2,2-difluoroethoxymethyl)phenyl]methanamine
SMILESNCc1ccccc1COCC(F)F
InChIInChI=1S/C10H13F2NO/c11-10(12)7-14-6-9-4-2-1-3-8(9)5-13/h1-4,10H,5-7,13H2
InChIKeyDMPVJJUNEOUPRK-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine
CID 82003824
[6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine
CID 106908570
N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine
CID 82006882
[2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine
CID 82006755
1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene
CID 177214079
[2-(propan-2-yloxymethyl)phenyl]methanamine
CID 18070374
[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine
CID 107559173
3-(2,2-difluoroethoxymethyl)quinolin-2-amine
CID 82007215
[2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine
CID 103487025
2-[2-(2-methylpropoxymethyl)phenyl]ethanamine
CID 115464547
4-[2-(2,2-difluoroethoxymethyl)phenyl]but-3-yn-1-ol
CID 82006810
[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine
CID 82006292

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluoroethoxymethyl)phenyl]methanamine?
The IUPAC name of [2-(2,2-difluoroethoxymethyl)phenyl]methanamine (CID 82005242) is [2-(2,2-difluoroethoxymethyl)phenyl]methanamine.
What is the SMILES notation for [2-(2,2-difluoroethoxymethyl)phenyl]methanamine?
The canonical SMILES for [2-(2,2-difluoroethoxymethyl)phenyl]methanamine is NCc1ccccc1COCC(F)F.
What is the InChIKey of [2-(2,2-difluoroethoxymethyl)phenyl]methanamine?
The InChIKey is DMPVJJUNEOUPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-10(12)7-14-6-9-4-2-1-3-8(9)5-13/h1-4,10H,5-7,13H2.
What are the key properties of [2-(2,2-difluoroethoxymethyl)phenyl]methanamine?
[2-(2,2-difluoroethoxymethyl)phenyl]methanamine has a molecular weight of 201.22 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluoroethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 82005242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).