5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol

C17H24F8O — CID 21019075

IUPAC5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C1CCCCC1)C1CC(O)(C(F)(F)F)C(F)(F)C(F)(C(C)(F)F)C1
InChIInChI=1S/C17H24F8O/c1-10(11-6-4-3-5-7-11)12-8-14(20,13(2,18)19)16(21,22)15(26,9-12)17(23,24)25/h10-12,26H,3-9H2,1-2H3
InChIKeyPIEWAVVGUQORDV-UHFFFAOYSA-N
MW396.36 g/mol
LogP5.91
Rot. Bonds3

About 5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol

5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 21019075) has the molecular formula C17H24F8O and a molecular weight of 396.36 g/mol. Its IUPAC name is 5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID21019075
Molecular FormulaC17H24F8O
Molecular Weight396.36 g/mol
Exact Mass396.17
IUPAC Name5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C1CCCCC1)C1CC(O)(C(F)(F)F)C(F)(F)C(F)(C(C)(F)F)C1
InChIInChI=1S/C17H24F8O/c1-10(11-6-4-3-5-7-11)12-8-14(20,13(2,18)19)16(21,22)15(26,9-12)17(23,24)25/h10-12,26H,3-9H2,1-2H3
InChIKeyPIEWAVVGUQORDV-UHFFFAOYSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.36
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol (CID 21019075) is 5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol is CC(C1CCCCC1)C1CC(O)(C(F)(F)F)C(F)(F)C(F)(C(C)(F)F)C1.
What is the InChIKey of 5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is PIEWAVVGUQORDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F8O/c1-10(11-6-4-3-5-7-11)12-8-14(20,13(2,18)19)16(21,22)15(26,9-12)17(23,24)25/h10-12,26H,3-9H2,1-2H3.
What are the key properties of 5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol?
5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 396.36 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 21019075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).