4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol

C11H9F4IO2 — CID 134259245

IUPAC4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol
SMILESOC1c2c(I)ccc(OCC(F)F)c2CC1(F)F
InChIInChI=1S/C11H9F4IO2/c12-8(13)4-18-7-2-1-6(16)9-5(7)3-11(14,15)10(9)17/h1-2,8,10,17H,3-4H2
InChIKeyZJGHSVWVYTVZFH-UHFFFAOYSA-N
MW376.09 g/mol
LogP3.16
Rot. Bonds3

About 4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol

4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol (PubChem CID 134259245) has the molecular formula C11H9F4IO2 and a molecular weight of 376.09 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol
PubChem CID134259245
Molecular FormulaC11H9F4IO2
Molecular Weight376.09 g/mol
Exact Mass375.96
IUPAC Name4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol
SMILESOC1c2c(I)ccc(OCC(F)F)c2CC1(F)F
InChIInChI=1S/C11H9F4IO2/c12-8(13)4-18-7-2-1-6(16)9-5(7)3-11(14,15)10(9)17/h1-2,8,10,17H,3-4H2
InChIKeyZJGHSVWVYTVZFH-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 53.16
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

(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 122506276
2-(5-Hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492843
1,2-Etanodiol, 1-(2,3-dihidro-4-benzofuranil)-, (1S)-
CID 101000243
4-(3,5-Difluorophenoxy)-7-dimethylphosphoryl-2,2-difluoro-1,3-dihydroinden-1-ol
CID 141758062
4-Methoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492768
1H-Inden-1-ol, 2,3-dihydro-4-methoxy-
CID 13711139
4-Ethoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492788
6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
CID 146523519
7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-2,3-dihydro-1H-inden-1-ol
CID 146523966
(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol
CID 131030238
(1R)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol
CID 131165605
5-Methoxy-2,3-dihydro-1h-inden-1-ol
CID 255233

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol?
The IUPAC name of 4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol (CID 134259245) is 4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol is OC1c2c(I)ccc(OCC(F)F)c2CC1(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol?
The InChIKey is ZJGHSVWVYTVZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4IO2/c12-8(13)4-18-7-2-1-6(16)9-5(7)3-11(14,15)10(9)17/h1-2,8,10,17H,3-4H2.
What are the key properties of 4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol?
4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol has a molecular weight of 376.09 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol is sourced from PubChem (CID 134259245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).