2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol

C20H24F14O2 — CID 58776713

IUPAC2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol
SMILESCC1C(C)C2CC1C(F)(F)C2(F)CC(OC(C)(C)CC(O)(C(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H24F14O2/c1-8-9(2)11-5-10(8)14(23,17(11,24)25)7-16(19(29,30)31,20(32,33)34)36-13(3,4)6-15(35,12(21)22)18(26,27)28/h8-12,35H,5-7H2,1-4H3
InChIKeyDPFAVGDCNNOVLZ-UHFFFAOYSA-N
MW562.38 g/mol
LogP7.25
Rot. Bonds7

About 2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol

2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol (PubChem CID 58776713) has the molecular formula C20H24F14O2 and a molecular weight of 562.38 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol
PubChem CID58776713
Molecular FormulaC20H24F14O2
Molecular Weight562.38 g/mol
Exact Mass562.16
IUPAC Name2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol
SMILESCC1C(C)C2CC1C(F)(F)C2(F)CC(OC(C)(C)CC(O)(C(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H24F14O2/c1-8-9(2)11-5-10(8)14(23,17(11,24)25)7-16(19(29,30)31,20(32,33)34)36-13(3,4)6-15(35,12(21)22)18(26,27)28/h8-12,35H,5-7H2,1-4H3
InChIKeyDPFAVGDCNNOVLZ-UHFFFAOYSA-N
XLogP7.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.38
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol?
The IUPAC name of 2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol (CID 58776713) is 2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol?
The canonical SMILES for 2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol is CC1C(C)C2CC1C(F)(F)C2(F)CC(OC(C)(C)CC(O)(C(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol?
The InChIKey is DPFAVGDCNNOVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F14O2/c1-8-9(2)11-5-10(8)14(23,17(11,24)25)7-16(19(29,30)31,20(32,33)34)36-13(3,4)6-15(35,12(21)22)18(26,27)28/h8-12,35H,5-7H2,1-4H3.
What are the key properties of 2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol?
2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol has a molecular weight of 562.38 g/mol, XLogP of 7.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol is sourced from PubChem (CID 58776713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).