N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline

C16H17F2NO — CID 116788704

IUPACN-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline
SMILESCCOc1ccccc1NCC(F)(F)c1ccccc1
InChIInChI=1S/C16H17F2NO/c1-2-20-15-11-7-6-10-14(15)19-12-16(17,18)13-8-4-3-5-9-13/h3-11,19H,2,12H2,1H3
InChIKeyOEECBNTUKPUBQE-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.29
Rot. Bonds6

About N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline

N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline (PubChem CID 116788704) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline.

Molecular Properties

Compound NameN-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline
PubChem CID116788704
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC NameN-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline
SMILESCCOc1ccccc1NCC(F)(F)c1ccccc1
InChIInChI=1S/C16H17F2NO/c1-2-20-15-11-7-6-10-14(15)19-12-16(17,18)13-8-4-3-5-9-13/h3-11,19H,2,12H2,1H3
InChIKeyOEECBNTUKPUBQE-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788759
2-ethoxy-N-(2-fluoroethyl)aniline
CID 80699443
2-bromo-N-(2,2-difluoro-2-phenylethyl)-3-methylaniline
CID 116789222
phenyl N-(2-ethoxyphenyl)carbamate
CID 51345560
4-(2-ethoxyanilino)-2-methylbutan-2-ol
CID 79359575
[2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191567
2-methoxy-N-(2-methyl-2-phenylpropyl)aniline
CID 82538820
3-[(2-ethoxyanilino)methyl]benzoic acid
CID 82096099
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109039807
N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969461
N-(2-ethoxyphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 1183545

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline?
The IUPAC name of N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline (CID 116788704) is N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline.
What is the SMILES notation for N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline?
The canonical SMILES for N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline is CCOc1ccccc1NCC(F)(F)c1ccccc1.
What is the InChIKey of N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline?
The InChIKey is OEECBNTUKPUBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-2-20-15-11-7-6-10-14(15)19-12-16(17,18)13-8-4-3-5-9-13/h3-11,19H,2,12H2,1H3.
What are the key properties of N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline?
N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline has a molecular weight of 277.31 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline is sourced from PubChem (CID 116788704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).