3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine

C8H8F4N2O — CID 70379476

IUPAC3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine
SMILESNc1cccc(OC(F)C(F)(F)F)c1N
InChIInChI=1S/C8H8F4N2O/c9-7(8(10,11)12)15-5-3-1-2-4(13)6(5)14/h1-3,7H,13-14H2
InChIKeyOFJFLDCVXKQRPP-UHFFFAOYSA-N
MW224.16 g/mol
LogP2.09
Rot. Bonds2

About 3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine

3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine (PubChem CID 70379476) has the molecular formula C8H8F4N2O and a molecular weight of 224.16 g/mol. Its IUPAC name is 3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine
PubChem CID70379476
Molecular FormulaC8H8F4N2O
Molecular Weight224.16 g/mol
Exact Mass224.06
IUPAC Name3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine
SMILESNc1cccc(OC(F)C(F)(F)F)c1N
InChIInChI=1S/C8H8F4N2O/c9-7(8(10,11)12)15-5-3-1-2-4(13)6(5)14/h1-3,7H,13-14H2
InChIKeyOFJFLDCVXKQRPP-UHFFFAOYSA-N
XLogP2.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine?
The IUPAC name of 3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine (CID 70379476) is 3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine.
What is the SMILES notation for 3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine?
The canonical SMILES for 3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine is Nc1cccc(OC(F)C(F)(F)F)c1N.
What is the InChIKey of 3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine?
The InChIKey is OFJFLDCVXKQRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O/c9-7(8(10,11)12)15-5-3-1-2-4(13)6(5)14/h1-3,7H,13-14H2.
What are the key properties of 3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine?
3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine has a molecular weight of 224.16 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine is sourced from PubChem (CID 70379476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).