1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

C11H12F5NO — CID 82710749

IUPAC1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1cc(F)c(C(C)NOCC(F)(F)F)cc1F
InChIInChI=1S/C11H12F5NO/c1-6-3-10(13)8(4-9(6)12)7(2)17-18-5-11(14,15)16/h3-4,7,17H,5H2,1-2H3
InChIKeyRKLOZYLWMIQHKO-UHFFFAOYSA-N
MW269.21 g/mol
LogP3.42
Rot. Bonds4

About 1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82710749) has the molecular formula C11H12F5NO and a molecular weight of 269.21 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82710749
Molecular FormulaC11H12F5NO
Molecular Weight269.21 g/mol
Exact Mass269.08
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1cc(F)c(C(C)NOCC(F)(F)F)cc1F
InChIInChI=1S/C11H12F5NO/c1-6-3-10(13)8(4-9(6)12)7(2)17-18-5-11(14,15)16/h3-4,7,17H,5H2,1-2H3
InChIKeyRKLOZYLWMIQHKO-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 53.42
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-(2,2,2-trifluoroethoxy)ethanamine
CID 82712392
1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine
CID 82710401
1-(2,5-difluoro-4-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103746481
5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
CID 82711475
1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712609
1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710680
1-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712048
1-(2,4-difluoro-5-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207699
4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
CID 82712637
2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate
CID 83210980
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712401
2-[[1-(2,5-difluoro-4-methylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol
CID 106251865

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82710749) is 1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is Cc1cc(F)c(C(C)NOCC(F)(F)F)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is RKLOZYLWMIQHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO/c1-6-3-10(13)8(4-9(6)12)7(2)17-18-5-11(14,15)16/h3-4,7,17H,5H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 269.21 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82710749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).