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

C16H8ClF7O2 — CID 146523507

IUPAC6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
SMILESOC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C16H8ClF7O2/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
InChIKeySBVLBTDIQYFYIQ-UHFFFAOYSA-N
MW400.68 g/mol
LogP5.98
Rot. Bonds3

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

6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol (PubChem CID 146523507) has the molecular formula C16H8ClF7O2 and a molecular weight of 400.68 g/mol. Its IUPAC name is 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol.

Molecular Properties

Compound Name6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
PubChem CID146523507
Molecular FormulaC16H8ClF7O2
Molecular Weight400.68 g/mol
Exact Mass400.01
IUPAC Name6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
SMILESOC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C16H8ClF7O2/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
InChIKeySBVLBTDIQYFYIQ-UHFFFAOYSA-N
XLogP5.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.68
LogP ≤ 55.98
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

3-chloro-5-[[4-(difluoromethyl)-1,1,2,2-tetrafluoro-3-hydroxy-3H-inden-5-yl]oxy]benzonitrile
CID 146523979
2-chloro-7-(difluoromethyl)-2,3,3-trifluoro-6-(3-fluoro-5-isocyanophenoxy)-1H-inden-1-ol
CID 162493420
6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
CID 146523519
5-(3-chloro-5-fluorophenoxy)-4-(difluoromethyl)-2,2-difluoro-1-benzothiophene-3,3-diol
CID 138668365
(1R,3R)-6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3-trifluoro-3H-1-benzothiophene 1-oxide
CID 151802879
(3S)-6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3-trifluoro-3H-1-benzothiophene
CID 166980936
(1S,3R)-6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3-trifluoro-3H-1-benzothiophene 1-oxide
CID 162780947
6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene
CID 150192918
7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3-trifluoro-1,3-dihydroinden-1-ol
CID 162518141
5-(3-chloro-5-fluorophenoxy)-4-(difluoromethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 118165044
4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol
CID 144870013
(3S)-7-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
CID 130289670

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol?
The IUPAC name of 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol (CID 146523507) is 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol.
What is the SMILES notation for 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol?
The canonical SMILES for 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol is OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol?
The InChIKey is SBVLBTDIQYFYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF7O2/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 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol?
6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol has a molecular weight of 400.68 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol is sourced from PubChem (CID 146523507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).