2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine

C12H10FIN2 — CID 29067094

IUPAC2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(I)cc2)c(F)c1
InChIInChI=1S/C12H10FIN2/c13-11-7-9(15)3-6-12(11)16-10-4-1-8(14)2-5-10/h1-7,16H,15H2
InChIKeyHRFYTBJTVVVWBZ-UHFFFAOYSA-N
MW328.13 g/mol
LogP3.76
Rot. Bonds2

About 2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine

2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine (PubChem CID 29067094) has the molecular formula C12H10FIN2 and a molecular weight of 328.13 g/mol. Its IUPAC name is 2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine
PubChem CID29067094
Molecular FormulaC12H10FIN2
Molecular Weight328.13 g/mol
Exact Mass327.99
IUPAC Name2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(I)cc2)c(F)c1
InChIInChI=1S/C12H10FIN2/c13-11-7-9(15)3-6-12(11)16-10-4-1-8(14)2-5-10/h1-7,16H,15H2
InChIKeyHRFYTBJTVVVWBZ-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067140
2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157044293
2-fluoro-N-(4-fluorophenyl)-4-iodoaniline
CID 174579692
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine
CID 66094766
1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29080215
1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376263
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine
CID 134408936
1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 65467733
5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide
CID 100646099

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine (CID 29067094) is 2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine is Nc1ccc(Nc2ccc(I)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine?
The InChIKey is HRFYTBJTVVVWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FIN2/c13-11-7-9(15)3-6-12(11)16-10-4-1-8(14)2-5-10/h1-7,16H,15H2.
What are the key properties of 2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine?
2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine has a molecular weight of 328.13 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine is sourced from PubChem (CID 29067094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).