7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol

C16H8F8O2 — CID 146523966

IUPAC7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol
SMILESOC1c2c(ccc(Oc3cc(F)cc(F)c3)c2C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C16H8F8O2/c17-6-3-7(18)5-8(4-6)26-10-2-1-9-11(12(10)14(19)20)13(25)16(23,24)15(9,21)22/h1-5,13-14,25H
InChIKeyHNHYIOAAPNHGHQ-UHFFFAOYSA-N
MW384.22 g/mol
LogP5.47
Rot. Bonds3

About 7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol

7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol (PubChem CID 146523966) has the molecular formula C16H8F8O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is 7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol.

Molecular Properties

Compound Name7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol
PubChem CID146523966
Molecular FormulaC16H8F8O2
Molecular Weight384.22 g/mol
Exact Mass384.04
IUPAC Name7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol
SMILESOC1c2c(ccc(Oc3cc(F)cc(F)c3)c2C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C16H8F8O2/c17-6-3-7(18)5-8(4-6)26-10-2-1-9-11(12(10)14(19)20)13(25)16(23,24)15(9,21)22/h1-5,13-14,25H
InChIKeyHNHYIOAAPNHGHQ-UHFFFAOYSA-N
XLogP5.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Imdatifan
CID 155214362
(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 122506276
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
3-fluoro-5-(((1R,2S,2aS)-1,2,3,3,4,4-hexafluoro-2a-hydroxy-2,2a,3,4-tetrahydro-1H-cyclopenta[cd]inden-7-yl)oxy)benzonitrile
CID 155232523
4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol
CID 127031151
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492679
2-Hexoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492533
2-Butoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492669
2-(5-Hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492843
2-(6-Hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492866
2-(4-Hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59493174
2-Pentoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59493222

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol?
The IUPAC name of 7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol (CID 146523966) is 7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol.
What is the SMILES notation for 7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol?
The canonical SMILES for 7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol is OC1c2c(ccc(Oc3cc(F)cc(F)c3)c2C(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol?
The InChIKey is HNHYIOAAPNHGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F8O2/c17-6-3-7(18)5-8(4-6)26-10-2-1-9-11(12(10)14(19)20)13(25)16(23,24)15(9,21)22/h1-5,13-14,25H.
What are the key properties of 7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol?
7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol has a molecular weight of 384.22 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-1H-inden-1-ol is sourced from PubChem (CID 146523966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).