2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane

C26H37F9O — CID 143266127

IUPAC2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CC(F)C(C3CC(F)C(C(F)(F)OC4CC(F)C(F)C(F)C4)C(F)C3)C(F)C2)CC1
InChIInChI=1S/C26H37F9O/c1-12-2-4-13(5-3-12)14-6-17(27)23(18(28)7-14)15-8-19(29)24(20(30)9-15)26(34,35)36-16-10-21(31)25(33)22(32)11-16/h12-25H,2-11H2,1H3
InChIKeyXHTASLSJDDTGER-UHFFFAOYSA-N
MW536.56 g/mol
LogP8.00
Rot. Bonds5

About 2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane

2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane (PubChem CID 143266127) has the molecular formula C26H37F9O and a molecular weight of 536.56 g/mol. Its IUPAC name is 2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane
PubChem CID143266127
Molecular FormulaC26H37F9O
Molecular Weight536.56 g/mol
Exact Mass536.27
IUPAC Name2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CC(F)C(C3CC(F)C(C(F)(F)OC4CC(F)C(F)C(F)C4)C(F)C3)C(F)C2)CC1
InChIInChI=1S/C26H37F9O/c1-12-2-4-13(5-3-12)14-6-17(27)23(18(28)7-14)15-8-19(29)24(20(30)9-15)26(34,35)36-16-10-21(31)25(33)22(32)11-16/h12-25H,2-11H2,1H3
InChIKeyXHTASLSJDDTGER-UHFFFAOYSA-N
XLogP8.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.56
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3,5-difluoro-4-(trifluoromethyl)cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane
CID 143114577
2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-1,3-difluoro-5-[(4R)-2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 118191105
5-(4-cyclohexylcyclohexyl)-2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-1,3-difluorocyclohexane
CID 89323921
2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen;dihydrate
CID 159305934
2-[4-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-3,5-difluorocyclohexyl]-6-methyloxepane
CID 143114481
5-[difluoro-(4-methylcyclohexyl)methoxy]-1,2,3-trifluorocyclohexane;methane;dihydrate
CID 161347958
2-[4-[4-[difluoro-[4-(trifluoromethoxy)cyclohexyl]oxymethyl]-3,5-difluorocyclohexyl]-3,5-difluorocyclohexyl]-5-methyloxane
CID 143005933
2-[4-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]cyclohexyl]-5-methylthiophene;trihydrate
CID 157186887
2-[(3,5-difluoro-4-methylcyclohexyl)oxy-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylcyclohexyl)cyclohexyl]cyclohexane
CID 159212553
[2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane
CID 145325272
1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane
CID 122534276
[2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane
CID 143002994

Frequently Asked Questions

What is the IUPAC name of 2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane (CID 143266127) is 2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane is CC1CCC(C2CC(F)C(C3CC(F)C(C(F)(F)OC4CC(F)C(F)C(F)C4)C(F)C3)C(F)C2)CC1.
What is the InChIKey of 2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane?
The InChIKey is XHTASLSJDDTGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F9O/c1-12-2-4-13(5-3-12)14-6-17(27)23(18(28)7-14)15-8-19(29)24(20(30)9-15)26(34,35)36-16-10-21(31)25(33)22(32)11-16/h12-25H,2-11H2,1H3.
What are the key properties of 2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane?
2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane has a molecular weight of 536.56 g/mol, XLogP of 8.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 143266127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).