3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol

C27H44F4O — CID 88928391

IUPAC3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol
SMILESOCCCC1CCC(C2CCC(C3CCC(C4CC(F)C(F)C(F)C4)C(F)C3)CC2)CC1
InChIInChI=1S/C27H44F4O/c28-24-14-21(11-12-23(24)22-15-25(29)27(31)26(30)16-22)20-9-7-19(8-10-20)18-5-3-17(4-6-18)2-1-13-32/h17-27,32H,1-16H2
InChIKeyRHHQUAKQKXXREW-UHFFFAOYSA-N
MW460.64 g/mol
LogP7.55
Rot. Bonds6

About 3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol

3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol (PubChem CID 88928391) has the molecular formula C27H44F4O and a molecular weight of 460.64 g/mol. Its IUPAC name is 3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol
PubChem CID88928391
Molecular FormulaC27H44F4O
Molecular Weight460.64 g/mol
Exact Mass460.33
IUPAC Name3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol
SMILESOCCCC1CCC(C2CCC(C3CCC(C4CC(F)C(F)C(F)C4)C(F)C3)CC2)CC1
InChIInChI=1S/C27H44F4O/c28-24-14-21(11-12-23(24)22-15-25(29)27(31)26(30)16-22)20-9-7-19(8-10-20)18-5-3-17(4-6-18)2-1-13-32/h17-27,32H,1-16H2
InChIKeyRHHQUAKQKXXREW-UHFFFAOYSA-N
XLogP7.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.64
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol with MolForge

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Related Compounds

5-[4-(4-ethylcyclohexyl)-2-fluorocyclohexyl]-1,2,3-trifluorocyclohexane
CID 88960394
4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane
CID 70911437
4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol
CID 140677441
3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol
CID 23534734
5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 118147229
1,2,3-trifluoro-5-[2-fluoro-4-(4-methylheptyl)cyclohexyl]cyclohexane
CID 88850023
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]butyl]cyclohexane
CID 142900014
3-[3-(3-ethylcyclopentyl)cyclopentyl]propan-1-ol
CID 142767370
2-[(3,5-difluoro-4-methylcyclohexyl)oxy-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylcyclohexyl)cyclohexyl]cyclohexane
CID 159212553
3-[4-(hydroxymethyl)cyclohexyl]propan-1-ol
CID 56606356
5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane
CID 176797503
2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-1,3-difluoro-5-[(4R)-2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 118191105

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol?
The IUPAC name of 3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol (CID 88928391) is 3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol.
What is the SMILES notation for 3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol?
The canonical SMILES for 3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol is OCCCC1CCC(C2CCC(C3CCC(C4CC(F)C(F)C(F)C4)C(F)C3)CC2)CC1.
What is the InChIKey of 3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol?
The InChIKey is RHHQUAKQKXXREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44F4O/c28-24-14-21(11-12-23(24)22-15-25(29)27(31)26(30)16-22)20-9-7-19(8-10-20)18-5-3-17(4-6-18)2-1-13-32/h17-27,32H,1-16H2.
What are the key properties of 3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol?
3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol has a molecular weight of 460.64 g/mol, XLogP of 7.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol is sourced from PubChem (CID 88928391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).