10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol

C16H22F6O2 — CID 21053330

IUPAC10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol
SMILESCC1C(C)C2CC1C1CC(O)(C(F)(F)F)CC(O)(C(F)(F)F)CC21
InChIInChI=1S/C16H22F6O2/c1-7-8(2)10-3-9(7)11-4-13(23,15(17,18)19)6-14(24,5-12(10)11)16(20,21)22/h7-12,23-24H,3-6H2,1-2H3
InChIKeyWASUAQNGQIPANQ-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.91
Rot. Bonds

About 10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol

10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol (PubChem CID 21053330) has the molecular formula C16H22F6O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol.

Molecular Properties

Compound Name10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol
PubChem CID21053330
Molecular FormulaC16H22F6O2
Molecular Weight360.34 g/mol
Exact Mass360.15
IUPAC Name10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol
SMILESCC1C(C)C2CC1C1CC(O)(C(F)(F)F)CC(O)(C(F)(F)F)CC21
InChIInChI=1S/C16H22F6O2/c1-7-8(2)10-3-9(7)11-4-13(23,15(17,18)19)6-14(24,5-12(10)11)16(20,21)22/h7-12,23-24H,3-6H2,1-2H3
InChIKeyWASUAQNGQIPANQ-UHFFFAOYSA-N
XLogP3.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol?
The IUPAC name of 10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol (CID 21053330) is 10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol.
What is the SMILES notation for 10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol?
The canonical SMILES for 10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol is CC1C(C)C2CC1C1CC(O)(C(F)(F)F)CC(O)(C(F)(F)F)CC21.
What is the InChIKey of 10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol?
The InChIKey is WASUAQNGQIPANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F6O2/c1-7-8(2)10-3-9(7)11-4-13(23,15(17,18)19)6-14(24,5-12(10)11)16(20,21)22/h7-12,23-24H,3-6H2,1-2H3.
What are the key properties of 10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol?
10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol has a molecular weight of 360.34 g/mol, XLogP of 3.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol is sourced from PubChem (CID 21053330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).