6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol

C14H10F8O2 — CID 146523519

IUPAC6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
SMILESOC1c2c(ccc(OC3CC(F)(F)C3)c2C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C14H10F8O2/c15-11(16)9-7(24-5-3-12(17,18)4-5)2-1-6-8(9)10(23)14(21,22)13(6,19)20/h1-2,5,10-11,23H,3-4H2
InChIKeyFUIRGMJMDYLWPM-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.57
Rot. Bonds3

About 6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol

6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol (PubChem CID 146523519) has the molecular formula C14H10F8O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol.

Molecular Properties

Compound Name6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
PubChem CID146523519
Molecular FormulaC14H10F8O2
Molecular Weight362.22 g/mol
Exact Mass362.06
IUPAC Name6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
SMILESOC1c2c(ccc(OC3CC(F)(F)C3)c2C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C14H10F8O2/c15-11(16)9-7(24-5-3-12(17,18)4-5)2-1-6-8(9)10(23)14(21,22)13(6,19)20/h1-2,5,10-11,23H,3-4H2
InChIKeyFUIRGMJMDYLWPM-UHFFFAOYSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol with MolForge

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Related Compounds

6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
CID 146523507
3-chloro-5-[[4-(difluoromethyl)-1,1,2,2-tetrafluoro-3-hydroxy-3H-inden-5-yl]oxy]benzonitrile
CID 146523979
4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol
CID 145152946
(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
CID 134259153
(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 122532867
4-(3,3-difluorocyclobutyl)oxy-2,2,3-trifluoro-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 122515544
4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol
CID 166796034
2-chloro-7-(difluoromethyl)-2,3,3-trifluoro-6-(3-fluoro-5-isocyanophenoxy)-1H-inden-1-ol
CID 162493420
6-(difluoromethyl)-2,2-difluoro-7-(oxan-4-yloxy)-4,5-dihydro-3H-1-benzothiepin-5-ol
CID 138667756
cis-(1R,2S)-2-(4-amino-2-fluorophenoxy)-4,4-difluorocyclopentan-1-ol
CID 139533346
methyl 4-(3,3-difluorocyclobutyl)oxy-3-nitrobenzoate
CID 67170971
7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3-trifluoro-1,3-dihydroinden-1-ol
CID 162518141

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol?
The IUPAC name of 6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol (CID 146523519) is 6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol.
What is the SMILES notation for 6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol?
The canonical SMILES for 6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol is OC1c2c(ccc(OC3CC(F)(F)C3)c2C(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol?
The InChIKey is FUIRGMJMDYLWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F8O2/c15-11(16)9-7(24-5-3-12(17,18)4-5)2-1-6-8(9)10(23)14(21,22)13(6,19)20/h1-2,5,10-11,23H,3-4H2.
What are the key properties of 6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol?
6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol has a molecular weight of 362.22 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol is sourced from PubChem (CID 146523519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).