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

C12H16FIN2O — CID 82741706

IUPAC4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
SMILESCC1OCCC1N(C)c1cc(F)c(I)cc1N
InChIInChI=1S/C12H16FIN2O/c1-7-11(3-4-17-7)16(2)12-5-8(13)9(14)6-10(12)15/h5-7,11H,3-4,15H2,1-2H3
InChIKeyUKVUHZZYLNYXPM-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.63
Rot. Bonds2

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

4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine (PubChem CID 82741706) has the molecular formula C12H16FIN2O and a molecular weight of 350.18 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
PubChem CID82741706
Molecular FormulaC12H16FIN2O
Molecular Weight350.18 g/mol
Exact Mass350.03
IUPAC Name4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
SMILESCC1OCCC1N(C)c1cc(F)c(I)cc1N
InChIInChI=1S/C12H16FIN2O/c1-7-11(3-4-17-7)16(2)12-5-8(13)9(14)6-10(12)15/h5-7,11H,3-4,15H2,1-2H3
InChIKeyUKVUHZZYLNYXPM-UHFFFAOYSA-N
XLogP2.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.63
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'}

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Related Compounds

4-chloro-5-fluoro-1-N-methyl-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82741235
4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine
CID 82741003
4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 66100285
N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739979
3-N-methyl-3-N-(2-methyloxolan-3-yl)benzene-1,3-diamine
CID 82741229
1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone
CID 82739978
4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772688
5-amino-2-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid
CID 82749270
5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82741761
N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine
CID 82754495
N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine
CID 82742641
N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine
CID 82733742

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine (CID 82741706) is 4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine is CC1OCCC1N(C)c1cc(F)c(I)cc1N.
What is the InChIKey of 4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine?
The InChIKey is UKVUHZZYLNYXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FIN2O/c1-7-11(3-4-17-7)16(2)12-5-8(13)9(14)6-10(12)15/h5-7,11H,3-4,15H2,1-2H3.
What are the key properties of 4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine has a molecular weight of 350.18 g/mol, XLogP of 2.63, 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-(2-methyloxolan-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 82741706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).