N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine

C13H8F6N2O — CID 133372468

IUPACN-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESFc1ccc(OCCNc2c(F)c(F)nc(F)c2F)cc1F
InChIInChI=1S/C13H8F6N2O/c14-7-2-1-6(5-8(7)15)22-4-3-20-11-9(16)12(18)21-13(19)10(11)17/h1-2,5H,3-4H2,(H,20,21)
InChIKeyXQYCALVOSZMQKG-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine

N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 133372468) has the molecular formula C13H8F6N2O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID133372468
Molecular FormulaC13H8F6N2O
Molecular Weight322.21 g/mol
Exact Mass322.05
IUPAC NameN-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESFc1ccc(OCCNc2c(F)c(F)nc(F)c2F)cc1F
InChIInChI=1S/C13H8F6N2O/c14-7-2-1-6(5-8(7)15)22-4-3-20-11-9(16)12(18)21-13(19)10(11)17/h1-2,5H,3-4H2,(H,20,21)
InChIKeyXQYCALVOSZMQKG-UHFFFAOYSA-N
XLogP3.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine
CID 133370569
3-chloro-N-[2-(3,4-difluorophenoxy)ethyl]aniline
CID 62597196
4-methoxy-N-[3-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethoxy]phenyl]benzamide
CID 133372618
4-[2-(3,4-difluorophenoxy)ethylamino]-3-fluorobenzonitrile
CID 133291798
3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline
CID 82096625
N-[2-(3,4-difluorophenoxy)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133291768
2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 119124887
4-chloro-5-[2-(3,4-difluorophenoxy)ethylamino]-2-methylpyridazin-3-one
CID 133291718
N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine
CID 62599636
N-[2-(3,4-difluorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133291797
N-[2-(3,4-difluorophenoxy)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133291787
1-[2-(3,4-difluorophenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112976455

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine (CID 133372468) is N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine is Fc1ccc(OCCNc2c(F)c(F)nc(F)c2F)cc1F.
What is the InChIKey of N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is XQYCALVOSZMQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N2O/c14-7-2-1-6(5-8(7)15)22-4-3-20-11-9(16)12(18)21-13(19)10(11)17/h1-2,5H,3-4H2,(H,20,21).
What are the key properties of N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 133372468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).