6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol

C19H25F3O3 — CID 145421674

IUPAC6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol
SMILESCc1ccc(OC(F)(F)C2CCC(C3CCC(O)CO3)CC2)cc1F
InChIInChI=1S/C19H25F3O3/c1-12-2-8-16(10-17(12)20)25-19(21,22)14-5-3-13(4-6-14)18-9-7-15(23)11-24-18/h2,8,10,13-15,18,23H,3-7,9,11H2,1H3
InChIKeyRIIHBCVBOUOECF-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.45
Rot. Bonds4

About 6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol

6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol (PubChem CID 145421674) has the molecular formula C19H25F3O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol.

Molecular Properties

Compound Name6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol
PubChem CID145421674
Molecular FormulaC19H25F3O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol
SMILESCc1ccc(OC(F)(F)C2CCC(C3CCC(O)CO3)CC2)cc1F
InChIInChI=1S/C19H25F3O3/c1-12-2-8-16(10-17(12)20)25-19(21,22)14-5-3-13(4-6-14)18-9-7-15(23)11-24-18/h2,8,10,13-15,18,23H,3-7,9,11H2,1H3
InChIKeyRIIHBCVBOUOECF-UHFFFAOYSA-N
XLogP4.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-5-propyloxane
CID 126501483
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-5-pentyloxane;molecular hydrogen
CID 161263731
5-cyclopentyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]-1,3-dioxane;5-cyclopentyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxane;5-cyclopentyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclopentyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]oxane;5-cyclopentyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]-1,3-dioxane;5-cyclopentyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxane
CID 159454784
1-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene
CID 135223857
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenoxy]-difluoromethyl]cyclohexyl]-5-propyloxane
CID 90180284
1-[4-[difluoro-[4-[4-(5-pentan-2-yloxan-2-yl)cyclohexyl]cyclohexyl]methoxy]-2-hydroxyphenyl]propan-1-one
CID 158235375
4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;methane;molecular hydrogen
CID 158144019
1-[4-[difluoro-[4-[4-(5-propyloxan-2-yl)cyclohexyl]cyclohexyl]methoxy]-2-hydroxyphenyl]propan-1-one
CID 58942461
2-[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl]-1,3-dioxane
CID 122502000
5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2-fluoro-1,3-dimethylbenzene
CID 20793286
4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]cyclohexane-1,1-diol;ethane
CID 142146438
1-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]ethyl]-2,3-difluoro-4-methylbenzene
CID 135223734

Frequently Asked Questions

What is the IUPAC name of 6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol?
The IUPAC name of 6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol (CID 145421674) is 6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol.
What is the SMILES notation for 6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol?
The canonical SMILES for 6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol is Cc1ccc(OC(F)(F)C2CCC(C3CCC(O)CO3)CC2)cc1F.
What is the InChIKey of 6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol?
The InChIKey is RIIHBCVBOUOECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3O3/c1-12-2-8-16(10-17(12)20)25-19(21,22)14-5-3-13(4-6-14)18-9-7-15(23)11-24-18/h2,8,10,13-15,18,23H,3-7,9,11H2,1H3.
What are the key properties of 6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol?
6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol has a molecular weight of 358.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]cyclohexyl]oxan-3-ol is sourced from PubChem (CID 145421674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).