1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H15FINO2S — CID 79769188

IUPAC1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNc1ccc(F)cc1I)COCc1cccs1
InChIInChI=1S/C14H15FINO2S/c15-10-3-4-14(13(16)6-10)17-7-11(18)8-19-9-12-2-1-5-20-12/h1-6,11,17-18H,7-9H2
InChIKeyYRQXFPHJQFKCKE-UHFFFAOYSA-N
MW407.25 g/mol
LogP3.48
Rot. Bonds7

About 1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 79769188) has the molecular formula C14H15FINO2S and a molecular weight of 407.25 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID79769188
Molecular FormulaC14H15FINO2S
Molecular Weight407.25 g/mol
Exact Mass406.99
IUPAC Name1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNc1ccc(F)cc1I)COCc1cccs1
InChIInChI=1S/C14H15FINO2S/c15-10-3-4-14(13(16)6-10)17-7-11(18)8-19-9-12-2-1-5-20-12/h1-6,11,17-18H,7-9H2
InChIKeyYRQXFPHJQFKCKE-UHFFFAOYSA-N
XLogP3.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60910138
1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60899650
1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60898787
1-(4-fluoro-2-iodoanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 79769591
1-(4-fluoro-2-iodoanilino)-3-(2-methylphenoxy)propan-2-ol
CID 79759629
1-(3-chloroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60896435
1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 79759481
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 107804841
3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide
CID 107811165
1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 107462870
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 79769188) is 1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(CNc1ccc(F)cc1I)COCc1cccs1.
What is the InChIKey of 1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is YRQXFPHJQFKCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FINO2S/c15-10-3-4-14(13(16)6-10)17-7-11(18)8-19-9-12-2-1-5-20-12/h1-6,11,17-18H,7-9H2.
What are the key properties of 1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 407.25 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 79769188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).