4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol

C16H14F6O2 — CID 88566513

IUPAC4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol
SMILESCC12CCC(C(F)(F)Oc3ccc(O)c(F)c3F)(CC1)C(F)=C2F
InChIInChI=1S/C16H14F6O2/c1-14-4-6-15(7-5-14,13(20)12(14)19)16(21,22)24-9-3-2-8(23)10(17)11(9)18/h2-3,23H,4-7H2,1H3
InChIKeyHCZXXCMRUZZQBO-UHFFFAOYSA-N
MW352.27 g/mol
LogP5.37
Rot. Bonds3

About 4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol

4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol (PubChem CID 88566513) has the molecular formula C16H14F6O2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol.

Molecular Properties

Compound Name4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol
PubChem CID88566513
Molecular FormulaC16H14F6O2
Molecular Weight352.27 g/mol
Exact Mass352.09
IUPAC Name4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol
SMILESCC12CCC(C(F)(F)Oc3ccc(O)c(F)c3F)(CC1)C(F)=C2F
InChIInChI=1S/C16H14F6O2/c1-14-4-6-15(7-5-14,13(20)12(14)19)16(21,22)24-9-3-2-8(23)10(17)11(9)18/h2-3,23H,4-7H2,1H3
InChIKeyHCZXXCMRUZZQBO-UHFFFAOYSA-N
XLogP5.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.27
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol with MolForge

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Related Compounds

2,3-difluoro-4-hydroperoxyphenol
CID 158823013
(2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate
CID 145086138
4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol
CID 141298262
2,3-difluoro-4-[2-(trifluoromethoxy)phenyl]phenol
CID 119015626
CID 142516848
CID 142516848
2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol
CID 135313160
1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 84790848
2,3-difluoro-4-(2-fluorobutoxy)phenol
CID 148965171
2,3-difluoro-4-[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoro-4-methyl-1-bicyclo[2.2.2]octanyl)ethyl]phenol
CID 88566580
4-[4-(4-ethoxy-2,3-difluorophenyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-2,3-difluorophenol
CID 163497672
1-[4-(1,1-difluoroethoxy)-3-hydroxyphenyl]cyclopropane-1-carbonitrile
CID 146709499
2-fluoro-3-(trifluoromethyl)benzene-1,4-diol
CID 143639383

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol?
The IUPAC name of 4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol (CID 88566513) is 4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol.
What is the SMILES notation for 4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol?
The canonical SMILES for 4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol is CC12CCC(C(F)(F)Oc3ccc(O)c(F)c3F)(CC1)C(F)=C2F.
What is the InChIKey of 4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol?
The InChIKey is HCZXXCMRUZZQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6O2/c1-14-4-6-15(7-5-14,13(20)12(14)19)16(21,22)24-9-3-2-8(23)10(17)11(9)18/h2-3,23H,4-7H2,1H3.
What are the key properties of 4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol?
4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol has a molecular weight of 352.27 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol is sourced from PubChem (CID 88566513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).