4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine

C11H14FIN2O — CID 82741003

IUPAC4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine
SMILESCN(c1cc(F)c(I)cc1N)C1CCOC1
InChIInChI=1S/C11H14FIN2O/c1-15(7-2-3-16-6-7)11-4-8(12)9(13)5-10(11)14/h4-5,7H,2-3,6,14H2,1H3
InChIKeyHKZPDFUKYIPGFO-UHFFFAOYSA-N
MW336.15 g/mol
LogP2.24
Rot. Bonds2

About 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine

4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine (PubChem CID 82741003) has the molecular formula C11H14FIN2O and a molecular weight of 336.15 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine
PubChem CID82741003
Molecular FormulaC11H14FIN2O
Molecular Weight336.15 g/mol
Exact Mass336.01
IUPAC Name4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine
SMILESCN(c1cc(F)c(I)cc1N)C1CCOC1
InChIInChI=1S/C11H14FIN2O/c1-15(7-2-3-16-6-7)11-4-8(12)9(13)5-10(11)14/h4-5,7H,2-3,6,14H2,1H3
InChIKeyHKZPDFUKYIPGFO-UHFFFAOYSA-N
XLogP2.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-fluoro-4-[methyl(oxolan-3-yl)amino]benzoic acid
CID 113394278
4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82741706
4-iodo-1-N-methyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 66064700
4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 66100285
N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine
CID 82753960
N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine
CID 82740352
N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine
CID 139410309
N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine
CID 82742861
3-fluoro-4-[methyl(oxolan-3-yl)amino]benzoic acid
CID 82739555
3-fluoro-1-N-methyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 60790197
5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740574
(1R)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82742056

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine (CID 82741003) is 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine is CN(c1cc(F)c(I)cc1N)C1CCOC1.
What is the InChIKey of 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine?
The InChIKey is HKZPDFUKYIPGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FIN2O/c1-15(7-2-3-16-6-7)11-4-8(12)9(13)5-10(11)14/h4-5,7H,2-3,6,14H2,1H3.
What are the key properties of 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine has a molecular weight of 336.15 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 82741003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).