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

C11H10F4O2 — CID 134259216

IUPAC4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol
SMILESOC1c2cccc(OCC(F)F)c2CC1(F)F
InChIInChI=1S/C11H10F4O2/c12-9(13)5-17-8-3-1-2-6-7(8)4-11(14,15)10(6)16/h1-3,9-10,16H,4-5H2
InChIKeyYUXVOCNDNCSUHU-UHFFFAOYSA-N
MW250.19 g/mol
LogP2.56
Rot. Bonds3

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

4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol (PubChem CID 134259216) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol
PubChem CID134259216
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol
SMILESOC1c2cccc(OCC(F)F)c2CC1(F)F
InChIInChI=1S/C11H10F4O2/c12-9(13)5-17-8-3-1-2-6-7(8)4-11(14,15)10(6)16/h1-3,9-10,16H,4-5H2
InChIKeyYUXVOCNDNCSUHU-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
4-Prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484887
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
(3S)-7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
CID 117946995
3-[[(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
CID 117947104
1,2-Etanodiol, 1-(2,3-dihidro-4-benzofuranil)-, (1S)-
CID 101000243

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol?
The IUPAC name of 4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol (CID 134259216) is 4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol is OC1c2cccc(OCC(F)F)c2CC1(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol?
The InChIKey is YUXVOCNDNCSUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c12-9(13)5-17-8-3-1-2-6-7(8)4-11(14,15)10(6)16/h1-3,9-10,16H,4-5H2.
What are the key properties of 4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol?
4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol has a molecular weight of 250.19 g/mol, XLogP of 2.56, 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-1,3-dihydroinden-1-ol is sourced from PubChem (CID 134259216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).