2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine

C10H11F5N2O — CID 106290037

IUPAC2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine
SMILESCOc1cc(NCC(F)(F)C(F)F)c(F)cc1N
InChIInChI=1S/C10H11F5N2O/c1-18-8-3-7(5(11)2-6(8)16)17-4-10(14,15)9(12)13/h2-3,9,17H,4,16H2,1H3
InChIKeyRMIRSHGJPBESHY-UHFFFAOYSA-N
MW270.20 g/mol
LogP2.73
Rot. Bonds5

About 2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine

2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine (PubChem CID 106290037) has the molecular formula C10H11F5N2O and a molecular weight of 270.20 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine
PubChem CID106290037
Molecular FormulaC10H11F5N2O
Molecular Weight270.20 g/mol
Exact Mass270.08
IUPAC Name2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine
SMILESCOc1cc(NCC(F)(F)C(F)F)c(F)cc1N
InChIInChI=1S/C10H11F5N2O/c1-18-8-3-7(5(11)2-6(8)16)17-4-10(14,15)9(12)13/h2-3,9,17H,4,16H2,1H3
InChIKeyRMIRSHGJPBESHY-UHFFFAOYSA-N
XLogP2.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 52.73
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

1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol
CID 107259384
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
CID 107259327
4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine
CID 106290004
2-fluoro-1-N-[(4-fluorophenyl)methyl]-5-methoxybenzene-1,4-diamine
CID 107258646
1-N-benzyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258625
2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide
CID 107259478
1-N-(2,2-dimethylbutyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103460154
4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine
CID 104758804
1-N-[(4-chlorophenyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258604
2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
CID 107258624
2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 107258627

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine (CID 106290037) is 2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine is COc1cc(NCC(F)(F)C(F)F)c(F)cc1N.
What is the InChIKey of 2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine?
The InChIKey is RMIRSHGJPBESHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N2O/c1-18-8-3-7(5(11)2-6(8)16)17-4-10(14,15)9(12)13/h2-3,9,17H,4,16H2,1H3.
What are the key properties of 2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine?
2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine has a molecular weight of 270.20 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine is sourced from PubChem (CID 106290037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).