4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine

C9H10F4N2O — CID 14011574

IUPAC4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine
SMILESCc1cc(N)c(N)cc1OC(F)(F)C(F)F
InChIInChI=1S/C9H10F4N2O/c1-4-2-5(14)6(15)3-7(4)16-9(12,13)8(10)11/h2-3,8H,14-15H2,1H3
InChIKeyGLLDZGQPJWHWHZ-UHFFFAOYSA-N
MW238.18 g/mol
LogP2.40
Rot. Bonds3

About 4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine

4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine (PubChem CID 14011574) has the molecular formula C9H10F4N2O and a molecular weight of 238.18 g/mol. Its IUPAC name is 4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine
PubChem CID14011574
Molecular FormulaC9H10F4N2O
Molecular Weight238.18 g/mol
Exact Mass238.07
IUPAC Name4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine
SMILESCc1cc(N)c(N)cc1OC(F)(F)C(F)F
InChIInChI=1S/C9H10F4N2O/c1-4-2-5(14)6(15)3-7(4)16-9(12,13)8(10)11/h2-3,8H,14-15H2,1H3
InChIKeyGLLDZGQPJWHWHZ-UHFFFAOYSA-N
XLogP2.40
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine?
The IUPAC name of 4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine (CID 14011574) is 4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine is Cc1cc(N)c(N)cc1OC(F)(F)C(F)F.
What is the InChIKey of 4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine?
The InChIKey is GLLDZGQPJWHWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O/c1-4-2-5(14)6(15)3-7(4)16-9(12,13)8(10)11/h2-3,8H,14-15H2,1H3.
What are the key properties of 4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine?
4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine has a molecular weight of 238.18 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine is sourced from PubChem (CID 14011574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).