4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol

C11H9F5O2 — CID 134259217

IUPAC4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol
SMILESOC1c2c(F)ccc(OCC(F)F)c2CC1(F)F
InChIInChI=1S/C11H9F5O2/c12-6-1-2-7(18-4-8(13)14)5-3-11(15,16)10(17)9(5)6/h1-2,8,10,17H,3-4H2
InChIKeyYEYICYBEETYETJ-UHFFFAOYSA-N
MW268.18 g/mol
LogP2.69
Rot. Bonds3

About 4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol

4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol (PubChem CID 134259217) has the molecular formula C11H9F5O2 and a molecular weight of 268.18 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol
PubChem CID134259217
Molecular FormulaC11H9F5O2
Molecular Weight268.18 g/mol
Exact Mass268.05
IUPAC Name4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol
SMILESOC1c2c(F)ccc(OCC(F)F)c2CC1(F)F
InChIInChI=1S/C11H9F5O2/c12-6-1-2-7(18-4-8(13)14)5-3-11(15,16)10(17)9(5)6/h1-2,8,10,17H,3-4H2
InChIKeyYEYICYBEETYETJ-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 52.69
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
2-(5-Hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492843
2-(6-Hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492866
(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
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
2-(3-Hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492896
3-Ethoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59493087

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol?
The IUPAC name of 4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol (CID 134259217) is 4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol is OC1c2c(F)ccc(OCC(F)F)c2CC1(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol?
The InChIKey is YEYICYBEETYETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5O2/c12-6-1-2-7(18-4-8(13)14)5-3-11(15,16)10(17)9(5)6/h1-2,8,10,17H,3-4H2.
What are the key properties of 4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol?
4-(2,2-difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol has a molecular weight of 268.18 g/mol, XLogP of 2.69, 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)-2,2,7-trifluoro-1,3-dihydroinden-1-ol is sourced from PubChem (CID 134259217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).