fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol

C10H17FINO2 — CID 158050846

IUPACfluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol
SMILESCNCCc1ccc(O)c(O)c1.[3H]I(C)F
InChIInChI=1S/C9H13NO2.CH4FI/c1-10-5-4-7-2-3-8(11)9(12)6-7;1-3-2/h2-3,6,10-12H,4-5H2,1H3;3H,1H3/i;3T
InChIKeyFJLQTRFCOLKFIT-LXUHVUQPSA-N
MW331.16 g/mol
LogP2.06
Rot. Bonds3

About fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol

fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol (PubChem CID 158050846) has the molecular formula C10H17FINO2 and a molecular weight of 331.16 g/mol. Its IUPAC name is fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol.

Molecular Properties

Compound Namefluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol
PubChem CID158050846
Molecular FormulaC10H17FINO2
Molecular Weight331.16 g/mol
Exact Mass331.04
IUPAC Namefluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol
SMILESCNCCc1ccc(O)c(O)c1.[3H]I(C)F
InChIInChI=1S/C9H13NO2.CH4FI/c1-10-5-4-7-2-3-8(11)9(12)6-7;1-3-2/h2-3,6,10-12H,4-5H2,1H3;3H,1H3/i;3T
InChIKeyFJLQTRFCOLKFIT-LXUHVUQPSA-N
XLogP2.06
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[3-(methylamino)propyl]benzene-1,2-diol
CID 14515291
ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol
CID 155581862
4-[2-(chloroamino)ethyl]benzene-1,2-diol;hydrate
CID 142760591
4-(methylaminomethyl)benzene-1,2-diol
CID 14515287
4-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]benzene-1,2-diol
CID 3027257
ethane;4-(methylaminomethyl)benzene-1,2-diol
CID 142030506
4-(fluoromethyl)-2-[2-(methylamino)ethyl]phenol
CID 84659130
2-methyl-5-[3-(methylamino)propyl]phenol
CID 83696087
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide
CID 69294862
3-(3,4-dihydroxyphenyl)-N-methylpropanamide
CID 15132211
azane;4-propylbenzene-1,2-diol;hydrobromide
CID 18923739
4-[4-[2-(methylamino)ethyl]phenoxy]phenol
CID 11514269

Frequently Asked Questions

What is the IUPAC name of fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol?
The IUPAC name of fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol (CID 158050846) is fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol.
What is the SMILES notation for fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol?
The canonical SMILES for fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol is CNCCc1ccc(O)c(O)c1.[3H]I(C)F.
What is the InChIKey of fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol?
The InChIKey is FJLQTRFCOLKFIT-LXUHVUQPSA-N. The full InChI is InChI=1S/C9H13NO2.CH4FI/c1-10-5-4-7-2-3-8(11)9(12)6-7;1-3-2/h2-3,6,10-12H,4-5H2,1H3;3H,1H3/i;3T.
What are the key properties of fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol?
fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol has a molecular weight of 331.16 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol is sourced from PubChem (CID 158050846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).