fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol

C25H36F14O4 — CID 91288338

About fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol

fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 91288338) has the molecular formula C25H36F14O4 and a molecular weight of 666.53 g/mol. Its IUPAC name is fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

• Compound Name: fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
• PubChem CID: 91288338
• Molecular Formula: C25H36F14O4
• Molecular Weight: 666.53 g/mol
• Exact Mass: 666.24
• IUPAC Name: fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
• SMILES: CC1CC(F)(F)C(F)(F)C(O)(C(F)(F)F)C1.CCC(C)(C)C(=O)OC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1.CCF
• InChI: InChI=1S/C15H22F6O3.C8H9F7O.C2H5F/c1-4-12(2,3)11(22)24-10-7-5-9(6-8-10)13(23,14(16,17)18)15(19,20)21;1-4-2-5(16,8(13,14)15)7(11,12)6(9,10)3-4;1-2-3/h9-10,23H,4-8H2,1-3H3;4,16H,2-3H2,1H3;2H2,1H3
• InChIKey: IKKGBXKYJIUBGF-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 66.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.53
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol?

The IUPAC name of fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol (CID 91288338) is fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol.

What is the SMILES notation for fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol?

The canonical SMILES for fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol is CC1CC(F)(F)C(F)(F)C(O)(C(F)(F)F)C1.CCC(C)(C)C(=O)OC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1.CCF.

What is the InChIKey of fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol?

The InChIKey is IKKGBXKYJIUBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F6O3.C8H9F7O.C2H5F/c1-4-12(2,3)11(22)24-10-7-5-9(6-8-10)13(23,14(16,17)18)15(19,20)21;1-4-2-5(16,8(13,14)15)7(11,12)6(9,10)3-4;1-2-3/h9-10,23H,4-8H2,1-3H3;4,16H,2-3H2,1H3;2H2,1H3.

What are the key properties of fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol?

fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 666.53 g/mol, XLogP of 8.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for fluoroethane;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2,2,3,3-tetrafluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 91288338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).