1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol

C14H17F9O — CID 20781746

IUPAC1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol
SMILESCC1C(C)C2CC1C(F)(F)C2(F)CCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H17F9O/c1-6-7(2)9-5-8(6)10(15,12(9,16)17)3-4-11(24,13(18,19)20)14(21,22)23/h6-9,24H,3-5H2,1-2H3
InChIKeyVZTHWTBJYIAQFJ-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.89
Rot. Bonds3

About 1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol

1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol (PubChem CID 20781746) has the molecular formula C14H17F9O and a molecular weight of 372.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol
PubChem CID20781746
Molecular FormulaC14H17F9O
Molecular Weight372.27 g/mol
Exact Mass372.11
IUPAC Name1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol
SMILESCC1C(C)C2CC1C(F)(F)C2(F)CCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H17F9O/c1-6-7(2)9-5-8(6)10(15,12(9,16)17)3-4-11(24,13(18,19)20)14(21,22)23/h6-9,24H,3-5H2,1-2H3
InChIKeyVZTHWTBJYIAQFJ-UHFFFAOYSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol with MolForge

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Related Compounds

alpha-Ethyl-alpha,beta-dimethylbicyclo(2.2.1)heptane-2-propanol
CID 44150043
2-(Trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 14388171
2-(Bicyclo[2.2.1]heptane-2-yl)-1,1-bis(trifluoromethyl)ethanol
CID 18439564
3,3-Difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 18439566
1-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol
CID 20593676
2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20593684
3-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
CID 20593702
5,6-Dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 20593712
3-(2-Bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol
CID 20734465
1,1,1,3,3,3-Hexafluoro-2-[1,2,2,3,6,6-hexafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol
CID 20743869
1,1,1,3,3,3-Hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol
CID 20743870
1,1,1,3,3,3-Hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743871

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of 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) is 1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol is CC1C(C)C2CC1C(F)(F)C2(F)CCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol?
The InChIKey is VZTHWTBJYIAQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F9O/c1-6-7(2)9-5-8(6)10(15,12(9,16)17)3-4-11(24,13(18,19)20)14(21,22)23/h6-9,24H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol?
1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol has a molecular weight of 372.27 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 20781746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).