1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane

C26H44F2 — CID 122534276

IUPAC1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(C3CCC(C4CC(F)C(C)C(F)C4)CC3)CC2)CC1
InChIInChI=1S/C26H44F2/c1-17-3-5-19(6-4-17)20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-25(27)18(2)26(28)16-24/h17-26H,3-16H2,1-2H3
InChIKeyUVWYGWPKVPYTAR-UHFFFAOYSA-N
MW394.63 g/mol
LogP8.15
Rot. Bonds3

About 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane

1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane (PubChem CID 122534276) has the molecular formula C26H44F2 and a molecular weight of 394.63 g/mol. Its IUPAC name is 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane
PubChem CID122534276
Molecular FormulaC26H44F2
Molecular Weight394.63 g/mol
Exact Mass394.34
IUPAC Name1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(C3CCC(C4CC(F)C(C)C(F)C4)CC3)CC2)CC1
InChIInChI=1S/C26H44F2/c1-17-3-5-19(6-4-17)20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-25(27)18(2)26(28)16-24/h17-26H,3-16H2,1-2H3
InChIKeyUVWYGWPKVPYTAR-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.63
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2,6-difluoro-4-(4-methylcyclohexyl)cyclohexyl]-pentafluoro-λ6-sulfane
CID 89390369
[2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane
CID 143940053
[2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane
CID 143002994
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;methane;molecular hydrogen;dihydrate
CID 159408600
2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane;methane;trihydrate
CID 158971717
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
bis(1,3-difluoro-2,5-dimethylcyclohexane);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylcyclohexane);pentahydrate
CID 159094413
1,3-difluoro-5-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-2-iodocyclohexane
CID 118887189
2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142971586
bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);molecular hydrogen;1,2,3-trimethyl-5-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160608283
5-(4-methylcyclohexyl)-2-[(3S)-3,4,5-trifluorocyclohexyl]-1,3-dioxane
CID 89343824

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane?
The IUPAC name of 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane (CID 122534276) is 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane is CC1CCC(C2CCC(C3CCC(C4CC(F)C(C)C(F)C4)CC3)CC2)CC1.
What is the InChIKey of 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane?
The InChIKey is UVWYGWPKVPYTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44F2/c1-17-3-5-19(6-4-17)20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-25(27)18(2)26(28)16-24/h17-26H,3-16H2,1-2H3.
What are the key properties of 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane?
1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane has a molecular weight of 394.63 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 122534276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).