[(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite

C10H6F5IO2 — CID 134260171

IUPAC[(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite
SMILESO[C@H]1c2c(C(F)(F)F)ccc(OI)c2CC1(F)F
InChIInChI=1S/C10H6F5IO2/c11-9(12)3-4-6(18-16)2-1-5(10(13,14)15)7(4)8(9)17/h1-2,8,17H,3H2/t8-/m0/s1
InChIKeyVPXYXBMRZBNVCF-QMMMGPOBSA-N
MW380.05 g/mol
LogP3.66
Rot. Bonds1

About [(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite

[(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite (PubChem CID 134260171) has the molecular formula C10H6F5IO2 and a molecular weight of 380.05 g/mol. Its IUPAC name is [(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite.

Molecular Properties

Compound Name[(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite
PubChem CID134260171
Molecular FormulaC10H6F5IO2
Molecular Weight380.05 g/mol
Exact Mass379.93
IUPAC Name[(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite
SMILESO[C@H]1c2c(C(F)(F)F)ccc(OI)c2CC1(F)F
InChIInChI=1S/C10H6F5IO2/c11-9(12)3-4-6(18-16)2-1-5(10(13,14)15)7(4)8(9)17/h1-2,8,17H,3H2/t8-/m0/s1
InChIKeyVPXYXBMRZBNVCF-QMMMGPOBSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.05
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
CID 134259153
2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol
CID 145153676
(1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
CID 134248619
2,2-difluoro-4-(2-hydroxycyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol
CID 176654016
(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 122532867
(1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol
CID 171619724
2-[[2,2-difluoro-1-hydroxy-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]propanoic acid
CID 134259212
4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol
CID 145152946
(1S)-2,2-difluoro-4-(1-methoxypropan-2-yloxy)-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 134599237
2,2-difluoro-4-(1-methylpyrazol-4-yl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol
CID 144804901
1-[(3S)-2,2-difluoro-7-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-1,3-dihydroinden-4-yl]-3-(trifluoromethyl)-9H-fluorene-2-sulfonic acid
CID 151996868
4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol
CID 145152952

Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite?
The IUPAC name of [(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite (CID 134260171) is [(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite.
What is the SMILES notation for [(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite?
The canonical SMILES for [(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite is O[C@H]1c2c(C(F)(F)F)ccc(OI)c2CC1(F)F.
What is the InChIKey of [(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite?
The InChIKey is VPXYXBMRZBNVCF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H6F5IO2/c11-9(12)3-4-6(18-16)2-1-5(10(13,14)15)7(4)8(9)17/h1-2,8,17H,3H2/t8-/m0/s1.
What are the key properties of [(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite?
[(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite has a molecular weight of 380.05 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite is sourced from PubChem (CID 134260171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).