4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine

C10H12F4N2O — CID 106290004

IUPAC4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine
SMILESCOc1ccc(N)c(NCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H12F4N2O/c1-17-6-2-3-7(15)8(4-6)16-5-10(13,14)9(11)12/h2-4,9,16H,5,15H2,1H3
InChIKeyVRSLQYHSNLWANM-UHFFFAOYSA-N
MW252.21 g/mol
LogP2.59
Rot. Bonds5

About 4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine

4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine (PubChem CID 106290004) has the molecular formula C10H12F4N2O and a molecular weight of 252.21 g/mol. Its IUPAC name is 4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine
PubChem CID106290004
Molecular FormulaC10H12F4N2O
Molecular Weight252.21 g/mol
Exact Mass252.09
IUPAC Name4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine
SMILESCOc1ccc(N)c(NCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H12F4N2O/c1-17-6-2-3-7(15)8(4-6)16-5-10(13,14)9(11)12/h2-4,9,16H,5,15H2,1H3
InChIKeyVRSLQYHSNLWANM-UHFFFAOYSA-N
XLogP2.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 52.59
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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Related Compounds

2-N-(2,2-dimethylbutyl)-4-methoxybenzene-1,2-diamine
CID 103460178
4-methoxy-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115515270
4-amino-3-(2,2,3,3-tetrafluoropropylamino)benzonitrile
CID 114169063
2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine
CID 106290037
1-(2-amino-5-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250963
6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
CID 114169053
2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone
CID 113405856
2-(2-amino-5-methoxyanilino)ethylurea
CID 83116899
1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113463029
2-(2-amino-5-methoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845814
2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine
CID 114110496
4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine?
The IUPAC name of 4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine (CID 106290004) is 4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine?
The canonical SMILES for 4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine is COc1ccc(N)c(NCC(F)(F)C(F)F)c1.
What is the InChIKey of 4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine?
The InChIKey is VRSLQYHSNLWANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2O/c1-17-6-2-3-7(15)8(4-6)16-5-10(13,14)9(11)12/h2-4,9,16H,5,15H2,1H3.
What are the key properties of 4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine?
4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine has a molecular weight of 252.21 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine is sourced from PubChem (CID 106290004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).