2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol

C12H13F2IO2 — CID 134259246

IUPAC2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol
SMILESCCCOc1ccc(I)c2c1CC(F)(F)C2O
InChIInChI=1S/C12H13F2IO2/c1-2-5-17-9-4-3-8(15)10-7(9)6-12(13,14)11(10)16/h3-4,11,16H,2,5-6H2,1H3
InChIKeyRBEWMEWYRKVSSG-UHFFFAOYSA-N
MW354.13 g/mol
LogP3.30
Rot. Bonds3

About 2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol

2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol (PubChem CID 134259246) has the molecular formula C12H13F2IO2 and a molecular weight of 354.13 g/mol. Its IUPAC name is 2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol
PubChem CID134259246
Molecular FormulaC12H13F2IO2
Molecular Weight354.13 g/mol
Exact Mass353.99
IUPAC Name2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol
SMILESCCCOc1ccc(I)c2c1CC(F)(F)C2O
InChIInChI=1S/C12H13F2IO2/c1-2-5-17-9-4-3-8(15)10-7(9)6-12(13,14)11(10)16/h3-4,11,16H,2,5-6H2,1H3
InChIKeyRBEWMEWYRKVSSG-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.13
LogP ≤ 53.30
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
2-Propan-2-yloxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492791
3-Ethoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59493087
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
(1R)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 28293920

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol?
The IUPAC name of 2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol (CID 134259246) is 2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol.
What is the SMILES notation for 2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol?
The canonical SMILES for 2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol is CCCOc1ccc(I)c2c1CC(F)(F)C2O.
What is the InChIKey of 2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol?
The InChIKey is RBEWMEWYRKVSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2IO2/c1-2-5-17-9-4-3-8(15)10-7(9)6-12(13,14)11(10)16/h3-4,11,16H,2,5-6H2,1H3.
What are the key properties of 2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol?
2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol has a molecular weight of 354.13 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol is sourced from PubChem (CID 134259246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).