3-(4-fluoro-3-iodoanilino)propane-1,2-diol

C9H11FINO2 — CID 168597274

IUPAC3-(4-fluoro-3-iodoanilino)propane-1,2-diol
SMILESOCC(O)CNc1ccc(F)c(I)c1
InChIInChI=1S/C9H11FINO2/c10-8-2-1-6(3-9(8)11)12-4-7(14)5-13/h1-3,7,12-14H,4-5H2
InChIKeyMMNASDVQOZXYKA-UHFFFAOYSA-N
MW311.09 g/mol
LogP1.20
Rot. Bonds4

About 3-(4-fluoro-3-iodoanilino)propane-1,2-diol

3-(4-fluoro-3-iodoanilino)propane-1,2-diol (PubChem CID 168597274) has the molecular formula C9H11FINO2 and a molecular weight of 311.09 g/mol. Its IUPAC name is 3-(4-fluoro-3-iodoanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-fluoro-3-iodoanilino)propane-1,2-diol
PubChem CID168597274
Molecular FormulaC9H11FINO2
Molecular Weight311.09 g/mol
Exact Mass310.98
IUPAC Name3-(4-fluoro-3-iodoanilino)propane-1,2-diol
SMILESOCC(O)CNc1ccc(F)c(I)c1
InChIInChI=1S/C9H11FINO2/c10-8-2-1-6(3-9(8)11)12-4-7(14)5-13/h1-3,7,12-14H,4-5H2
InChIKeyMMNASDVQOZXYKA-UHFFFAOYSA-N
XLogP1.20
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.09
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-dihydroxypropylamino)-2-fluorobenzoic acid
CID 168594042
3-(4-chloroanilino)propane-1,2-diol
CID 76891534
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol
CID 168594723
3-(2,6-difluoro-3-methylanilino)propane-1,2-diol
CID 82850159
3-[4-(2,3,4,5,6-pentafluorophenyl)sulfanylanilino]propane-1,2-diol
CID 168594736
3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol
CID 168596181
1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol
CID 168639860
3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
CID 115121860
3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol
CID 168593759
1-(3-bromo-4-iodoanilino)butan-2-ol
CID 130499884
4-(2,3-dihydroxypropylamino)phthalic acid
CID 168596094

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-iodoanilino)propane-1,2-diol?
The IUPAC name of 3-(4-fluoro-3-iodoanilino)propane-1,2-diol (CID 168597274) is 3-(4-fluoro-3-iodoanilino)propane-1,2-diol.
What is the SMILES notation for 3-(4-fluoro-3-iodoanilino)propane-1,2-diol?
The canonical SMILES for 3-(4-fluoro-3-iodoanilino)propane-1,2-diol is OCC(O)CNc1ccc(F)c(I)c1.
What is the InChIKey of 3-(4-fluoro-3-iodoanilino)propane-1,2-diol?
The InChIKey is MMNASDVQOZXYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FINO2/c10-8-2-1-6(3-9(8)11)12-4-7(14)5-13/h1-3,7,12-14H,4-5H2.
What are the key properties of 3-(4-fluoro-3-iodoanilino)propane-1,2-diol?
3-(4-fluoro-3-iodoanilino)propane-1,2-diol has a molecular weight of 311.09 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-iodoanilino)propane-1,2-diol is sourced from PubChem (CID 168597274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).