2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane

C14H20F6O — CID 20771576

IUPAC2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
SMILESCOC(CC1CC2CC1C(C)C2C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H20F6O/c1-7-8(2)11-5-9(7)4-10(11)6-12(21-3,13(15,16)17)14(18,19)20/h7-11H,4-6H2,1-3H3
InChIKeyWJWZWLBAZXYFGM-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.81
Rot. Bonds3

About 2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane

2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane (PubChem CID 20771576) has the molecular formula C14H20F6O and a molecular weight of 318.30 g/mol. Its IUPAC name is 2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
PubChem CID20771576
Molecular FormulaC14H20F6O
Molecular Weight318.30 g/mol
Exact Mass318.14
IUPAC Name2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
SMILESCOC(CC1CC2CC1C(C)C2C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H20F6O/c1-7-8(2)11-5-9(7)4-10(11)6-12(21-3,13(15,16)17)14(18,19)20/h7-11H,4-6H2,1-3H3
InChIKeyWJWZWLBAZXYFGM-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane (CID 20771576) is 2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane is COC(CC1CC2CC1C(C)C2C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The InChIKey is WJWZWLBAZXYFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6O/c1-7-8(2)11-5-9(7)4-10(11)6-12(21-3,13(15,16)17)14(18,19)20/h7-11H,4-6H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane has a molecular weight of 318.30 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 20771576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).