2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine

C14H11F4NO — CID 63802666

IUPAC2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
SMILESNCCc1cc(F)c(Oc2cccc(F)c2F)c(F)c1
InChIInChI=1S/C14H11F4NO/c15-9-2-1-3-12(13(9)18)20-14-10(16)6-8(4-5-19)7-11(14)17/h1-3,6-7H,4-5,19H2
InChIKeyNJMFQDSZEBXQEX-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.54
Rot. Bonds4

About 2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine

2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine (PubChem CID 63802666) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
PubChem CID63802666
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
SMILESNCCc1cc(F)c(Oc2cccc(F)c2F)c(F)c1
InChIInChI=1S/C14H11F4NO/c15-9-2-1-3-12(13(9)18)20-14-10(16)6-8(4-5-19)7-11(14)17/h1-3,6-7H,4-5,19H2
InChIKeyNJMFQDSZEBXQEX-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene
CID 107088431
1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine
CID 63077723
2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816477
2-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816437
2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63803798
4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283926
2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802444
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 107286734
2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63801942
[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
CID 116689370
2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533549

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine?
The IUPAC name of 2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine (CID 63802666) is 2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine is NCCc1cc(F)c(Oc2cccc(F)c2F)c(F)c1.
What is the InChIKey of 2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine?
The InChIKey is NJMFQDSZEBXQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-9-2-1-3-12(13(9)18)20-14-10(16)6-8(4-5-19)7-11(14)17/h1-3,6-7H,4-5,19H2.
What are the key properties of 2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine?
2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine has a molecular weight of 285.24 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine is sourced from PubChem (CID 63802666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).