4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine

C12H7F4IN2 — CID 66102468

IUPAC4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
SMILESNc1cc(I)c(F)cc1Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H7F4IN2/c13-6-3-11(10(18)4-9(6)17)19-5-1-7(14)12(16)8(15)2-5/h1-4,19H,18H2
InChIKeyNIAWGQFGDSZLTA-UHFFFAOYSA-N
MW382.10 g/mol
LogP4.17
Rot. Bonds2

About 4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine

4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine (PubChem CID 66102468) has the molecular formula C12H7F4IN2 and a molecular weight of 382.10 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
PubChem CID66102468
Molecular FormulaC12H7F4IN2
Molecular Weight382.10 g/mol
Exact Mass381.96
IUPAC Name4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
SMILESNc1cc(I)c(F)cc1Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H7F4IN2/c13-6-3-11(10(18)4-9(6)17)19-5-1-7(14)12(16)8(15)2-5/h1-4,19H,18H2
InChIKeyNIAWGQFGDSZLTA-UHFFFAOYSA-N
XLogP4.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.10
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-5-iodo-2-N-phenylbenzene-1,2-diamine
CID 66101823
4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine
CID 66101051
4-fluoro-5-iodo-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 66100059
2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66102226
4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine
CID 66100498
2-N-(4-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66100055
4-chloro-1-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 62808962
4-bromo-1-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 55211103
2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101863
2-N-(1,3-benzothiazol-6-yl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 107802835
2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101509
3-amino-4-(3,4,5-trifluoroanilino)benzenesulfonamide
CID 62809987

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine (CID 66102468) is 4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine is Nc1cc(I)c(F)cc1Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine?
The InChIKey is NIAWGQFGDSZLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4IN2/c13-6-3-11(10(18)4-9(6)17)19-5-1-7(14)12(16)8(15)2-5/h1-4,19H,18H2.
What are the key properties of 4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine has a molecular weight of 382.10 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 66102468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).