4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol

C17H22F8O2 — CID 15702472

IUPAC4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol
SMILESOC1CCC(C2(C3CCC(O)CC3)C(F)(F)C(F)(F)C(F)(F)C2(F)F)CC1
InChIInChI=1S/C17H22F8O2/c18-14(19)13(9-1-5-11(26)6-2-9,10-3-7-12(27)8-4-10)15(20,21)17(24,25)16(14,22)23/h9-12,26-27H,1-8H2
InChIKeyBGEPMGAUDFOWOE-UHFFFAOYSA-N
MW410.35 g/mol
LogP4.63
Rot. Bonds2

About 4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol

4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol (PubChem CID 15702472) has the molecular formula C17H22F8O2 and a molecular weight of 410.35 g/mol. Its IUPAC name is 4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol
PubChem CID15702472
Molecular FormulaC17H22F8O2
Molecular Weight410.35 g/mol
Exact Mass410.15
IUPAC Name4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol
SMILESOC1CCC(C2(C3CCC(O)CC3)C(F)(F)C(F)(F)C(F)(F)C2(F)F)CC1
InChIInChI=1S/C17H22F8O2/c18-14(19)13(9-1-5-11(26)6-2-9,10-3-7-12(27)8-4-10)15(20,21)17(24,25)16(14,22)23/h9-12,26-27H,1-8H2
InChIKeyBGEPMGAUDFOWOE-UHFFFAOYSA-N
XLogP4.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol?
The IUPAC name of 4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol (CID 15702472) is 4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol is OC1CCC(C2(C3CCC(O)CC3)C(F)(F)C(F)(F)C(F)(F)C2(F)F)CC1.
What is the InChIKey of 4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol?
The InChIKey is BGEPMGAUDFOWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F8O2/c18-14(19)13(9-1-5-11(26)6-2-9,10-3-7-12(27)8-4-10)15(20,21)17(24,25)16(14,22)23/h9-12,26-27H,1-8H2.
What are the key properties of 4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol?
4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol has a molecular weight of 410.35 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2,3,3,4,4,5,5-octafluoro-1-(4-hydroxycyclohexyl)cyclopentyl]cyclohexan-1-ol is sourced from PubChem (CID 15702472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).