1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

C10H10F5NO — CID 82712392

IUPAC1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C10H10F5NO/c1-6(16-17-5-10(13,14)15)8-4-7(11)2-3-9(8)12/h2-4,6,16H,5H2,1H3
InChIKeyBZDDBMYZTFTPJZ-UHFFFAOYSA-N
MW255.19 g/mol
LogP3.11
Rot. Bonds4

About 1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82712392) has the molecular formula C10H10F5NO and a molecular weight of 255.19 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82712392
Molecular FormulaC10H10F5NO
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C10H10F5NO/c1-6(16-17-5-10(13,14)15)8-4-7(11)2-3-9(8)12/h2-4,6,16H,5H2,1H3
InChIKeyBZDDBMYZTFTPJZ-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-difluorophenyl)-N-ethoxyethanamine
CID 115282507
5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
CID 82711475
1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710749
2-[1-(2,5-difluorophenyl)ethylamino]oxyacetamide
CID 112673156
N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 55176100
1-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712048
2,2,2-trifluoroethyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 61067667
1-(2,5-difluorophenyl)ethylhydrazine
CID 53402215
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102977960
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(2,5-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192587

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82712392) is 1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is CC(NOCC(F)(F)F)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is BZDDBMYZTFTPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NO/c1-6(16-17-5-10(13,14)15)8-4-7(11)2-3-9(8)12/h2-4,6,16H,5H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 255.19 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82712392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).