2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine

C10H12FIN2 — CID 66100112

IUPAC2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine
SMILESNc1cc(I)c(F)cc1NC1CCC1
InChIInChI=1S/C10H12FIN2/c11-7-4-10(9(13)5-8(7)12)14-6-2-1-3-6/h4-6,14H,1-3,13H2
InChIKeyHQZJEHOGXYLNPX-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.98
Rot. Bonds2

About 2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine

2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine (PubChem CID 66100112) has the molecular formula C10H12FIN2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine
PubChem CID66100112
Molecular FormulaC10H12FIN2
Molecular Weight306.12 g/mol
Exact Mass306.00
IUPAC Name2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine
SMILESNc1cc(I)c(F)cc1NC1CCC1
InChIInChI=1S/C10H12FIN2/c11-7-4-10(9(13)5-8(7)12)14-6-2-1-3-6/h4-6,14H,1-3,13H2
InChIKeyHQZJEHOGXYLNPX-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.98
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

4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine
CID 66077964
2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 79861884
[2-(2-amino-5-fluoro-4-iodoanilino)cyclohexyl]methanol
CID 114178420
1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589776
3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine
CID 82933880
methyl 5-amino-4-(cyclopropylamino)-2-fluorobenzoate
CID 164554287
2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 55215701
N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline
CID 66100425
4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 66102468
[1-(2-amino-5-fluoro-4-iodoanilino)cyclopentyl]methanol
CID 66100703
4-bromo-5-fluoro-1-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
CID 66111099
4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 104866691

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine?
The IUPAC name of 2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine (CID 66100112) is 2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine.
What is the SMILES notation for 2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine?
The canonical SMILES for 2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine is Nc1cc(I)c(F)cc1NC1CCC1.
What is the InChIKey of 2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine?
The InChIKey is HQZJEHOGXYLNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FIN2/c11-7-4-10(9(13)5-8(7)12)14-6-2-1-3-6/h4-6,14H,1-3,13H2.
What are the key properties of 2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine?
2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine has a molecular weight of 306.12 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine is sourced from PubChem (CID 66100112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).