2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C16H22F6O — CID 20771584

IUPAC2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1CC2C3CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C3)C2C1C
InChIInChI=1S/C16H22F6O/c1-7-3-11-9-4-10(12(5-9)13(11)8(7)2)6-14(23,15(17,18)19)16(20,21)22/h7-13,23H,3-6H2,1-2H3
InChIKeyCDARASRMKTXSJK-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.80
Rot. Bonds2

About 2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 20771584) has the molecular formula C16H22F6O and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID20771584
Molecular FormulaC16H22F6O
Molecular Weight344.34 g/mol
Exact Mass344.16
IUPAC Name2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1CC2C3CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C3)C2C1C
InChIInChI=1S/C16H22F6O/c1-7-3-11-9-4-10(12(5-9)13(11)8(7)2)6-14(23,15(17,18)19)16(20,21)22/h7-13,23H,3-6H2,1-2H3
InChIKeyCDARASRMKTXSJK-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

2-(Bicyclo[2.2.1]heptane-2-yl)-1,1-bis(trifluoromethyl)ethanol
CID 18439564
2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20593684
3-(2-Bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol
CID 20734465
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
1,1,1,3,3,3-Hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743872
1,1,1,3,3,3-Hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743873
1,1,1,3,3,3-Hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743874
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
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
1,1,1,3,3,3-Hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol
CID 20756242
2-[(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20756279
2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
CID 20759706

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 20771584) is 2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CC1CC2C3CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C3)C2C1C.
What is the InChIKey of 2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is CDARASRMKTXSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F6O/c1-7-3-11-9-4-10(12(5-9)13(11)8(7)2)6-14(23,15(17,18)19)16(20,21)22/h7-13,23H,3-6H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 344.34 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 20771584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).