4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol

C19H17F5O — CID 20663575

IUPAC4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol
SMILESOc1c(F)cc(-c2c(F)cc(C3CCC(CF)CC3)cc2F)cc1F
InChIInChI=1S/C19H17F5O/c20-9-10-1-3-11(4-2-10)12-5-14(21)18(15(22)6-12)13-7-16(23)19(25)17(24)8-13/h5-8,10-11,25H,1-4,9H2
InChIKeyJBUQAUQGURBQHT-UHFFFAOYSA-N
MW356.33 g/mol
LogP5.86
Rot. Bonds3

About 4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol

4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol (PubChem CID 20663575) has the molecular formula C19H17F5O and a molecular weight of 356.33 g/mol. Its IUPAC name is 4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol
PubChem CID20663575
Molecular FormulaC19H17F5O
Molecular Weight356.33 g/mol
Exact Mass356.12
IUPAC Name4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol
SMILESOc1c(F)cc(-c2c(F)cc(C3CCC(CF)CC3)cc2F)cc1F
InChIInChI=1S/C19H17F5O/c20-9-10-1-3-11(4-2-10)12-5-14(21)18(15(22)6-12)13-7-16(23)19(25)17(24)8-13/h5-8,10-11,25H,1-4,9H2
InChIKeyJBUQAUQGURBQHT-UHFFFAOYSA-N
XLogP5.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.33
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene
CID 59938749
4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol
CID 165344858
2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene
CID 18720941
4-cyclooctyl-2,6-difluorophenol
CID 151133055
5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene
CID 134560861
1-[2,6-difluoro-4-[4-[4-(fluoromethyl)cyclohexyl]cyclohexyl]phenoxy]-2,2,2-trifluoroethanol
CID 20663408
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenol;octane
CID 145464110
2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
CID 71101076
4-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]cyclohexane-1-thiol
CID 130256822
6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-8-fluoronaphthalen-2-ol
CID 139849922
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 158855287
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluorobenzene
CID 122469905

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol?
The IUPAC name of 4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol (CID 20663575) is 4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol?
The canonical SMILES for 4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol is Oc1c(F)cc(-c2c(F)cc(C3CCC(CF)CC3)cc2F)cc1F.
What is the InChIKey of 4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol?
The InChIKey is JBUQAUQGURBQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5O/c20-9-10-1-3-11(4-2-10)12-5-14(21)18(15(22)6-12)13-7-16(23)19(25)17(24)8-13/h5-8,10-11,25H,1-4,9H2.
What are the key properties of 4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol?
4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol has a molecular weight of 356.33 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol is sourced from PubChem (CID 20663575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).