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

C8H7F5N2O — CID 19744226

IUPAC4-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine
SMILESNc1cc(F)c(OC(F)(F)C(F)F)cc1N
InChIInChI=1S/C8H7F5N2O/c9-3-1-4(14)5(15)2-6(3)16-8(12,13)7(10)11/h1-2,7H,14-15H2
InChIKeyRSGUWCZATNXKJW-UHFFFAOYSA-N
MW242.15 g/mol
LogP2.23
Rot. Bonds3

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

4-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine (PubChem CID 19744226) has the molecular formula C8H7F5N2O and a molecular weight of 242.15 g/mol. Its IUPAC name is 4-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine
PubChem CID19744226
Molecular FormulaC8H7F5N2O
Molecular Weight242.15 g/mol
Exact Mass242.05
IUPAC Name4-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine
SMILESNc1cc(F)c(OC(F)(F)C(F)F)cc1N
InChIInChI=1S/C8H7F5N2O/c9-3-1-4(14)5(15)2-6(3)16-8(12,13)7(10)11/h1-2,7H,14-15H2
InChIKeyRSGUWCZATNXKJW-UHFFFAOYSA-N
XLogP2.23
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 52.23
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

2,4-difluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)aniline
CID 154508456
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
CID 98041876
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline
CID 145258328
[2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol
CID 118996091
2-bromo-4-(difluoromethoxy)-5-fluoroaniline
CID 131289039
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
4-bromo-5-(trifluoromethoxy)benzene-1,2-diamine
CID 26985379
2,5-difluoro-4-methoxyaniline
CID 45090681
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
2-[3,5-bis(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 3053564
2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine
CID 106290037
2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride
CID 173469135

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine (CID 19744226) is 4-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine is Nc1cc(F)c(OC(F)(F)C(F)F)cc1N.
What is the InChIKey of 4-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine?
The InChIKey is RSGUWCZATNXKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O/c9-3-1-4(14)5(15)2-6(3)16-8(12,13)7(10)11/h1-2,7H,14-15H2.
What are the key properties of 4-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine?
4-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine has a molecular weight of 242.15 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine is sourced from PubChem (CID 19744226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).