1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol

C17H19F9O — CID 20743952

IUPAC1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
SMILESCC1C(C)C2CC1C1C2C2CC1C(F)(F)C2(F)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H19F9O/c1-5-6(2)8-3-7(5)11-9-4-10(12(8)11)14(19,20)13(9,18)15(27,16(21,22)23)17(24,25)26/h5-12,27H,3-4H2,1-2H3
InChIKeyFVAPPJUOJAUJJN-UHFFFAOYSA-N
MW410.32 g/mol
LogP4.99
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol (PubChem CID 20743952) has the molecular formula C17H19F9O and a molecular weight of 410.32 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
PubChem CID20743952
Molecular FormulaC17H19F9O
Molecular Weight410.32 g/mol
Exact Mass410.13
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
SMILESCC1C(C)C2CC1C1C2C2CC1C(F)(F)C2(F)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H19F9O/c1-5-6(2)8-3-7(5)11-9-4-10(12(8)11)14(19,20)13(9,18)15(27,16(21,22)23)17(24,25)26/h5-12,27H,3-4H2,1-2H3
InChIKeyFVAPPJUOJAUJJN-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze 1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol with MolForge

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Related Compounds

2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20593684
1,1,1,3,3,3-Hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
CID 20743949
2-(9,10-Dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
CID 20759716
2-(9,10-Dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20759717
Carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
CID 20759721
2-[(4,5-Dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20771584
4,5-Dimethyl-9-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 20771587
3,5-Diethyl-8-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]tricyclo[5.2.1.02,6]decane
CID 20771594
4-[3,3,3-Trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 20771670
1,1,1-Trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol
CID 20781746
1,1,1,3,3,3-Hexafluoro-2-[[5-methyl-6-[3-methyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol
CID 21020794
1-(9,10-Dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-2,2,2-trifluoroethanol
CID 21049825

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol (CID 20743952) is 1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol is CC1C(C)C2CC1C1C2C2CC1C(F)(F)C2(F)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
The InChIKey is FVAPPJUOJAUJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F9O/c1-5-6(2)8-3-7(5)11-9-4-10(12(8)11)14(19,20)13(9,18)15(27,16(21,22)23)17(24,25)26/h5-12,27H,3-4H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol has a molecular weight of 410.32 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol is sourced from PubChem (CID 20743952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).