[2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine

C10H12F3NO — CID 82003824

IUPAC[2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1COCC(F)F
InChIInChI=1S/C10H12F3NO/c11-9-2-1-7(4-14)8(3-9)5-15-6-10(12)13/h1-3,10H,4-6,14H2
InChIKeyYMXACXLYHIOKOP-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.07
Rot. Bonds5

About [2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine

[2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine (PubChem CID 82003824) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is [2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine
PubChem CID82003824
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name[2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1COCC(F)F
InChIInChI=1S/C10H12F3NO/c11-9-2-1-7(4-14)8(3-9)5-15-6-10(12)13/h1-3,10H,4-6,14H2
InChIKeyYMXACXLYHIOKOP-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,2-difluoroethoxymethyl)phenyl]methanamine
CID 82005242
[4-fluoro-2-(3-methylbutoxymethyl)phenyl]methanamine
CID 64764838
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
3-[2-(2,2-difluoroethoxymethyl)-5-fluorophenyl]prop-2-yn-1-ol
CID 82007412
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 64763729
[2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine
CID 82006755
[5-fluoro-2-(hexoxymethyl)phenyl]methanamine
CID 63289474
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 64769908
[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 64765020
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107478882
[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine
CID 82006292

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine?
The IUPAC name of [2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine (CID 82003824) is [2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine is NCc1ccc(F)cc1COCC(F)F.
What is the InChIKey of [2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine?
The InChIKey is YMXACXLYHIOKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-9-2-1-7(4-14)8(3-9)5-15-6-10(12)13/h1-3,10H,4-6,14H2.
What are the key properties of [2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine?
[2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine has a molecular weight of 219.21 g/mol, XLogP of 2.07, 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)-4-fluorophenyl]methanamine is sourced from PubChem (CID 82003824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).