4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane

C10H13F3O — CID 21033010

IUPAC4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
SMILESCC1(C(F)(F)F)OC2C3CCC(C3)C21
InChIInChI=1S/C10H13F3O/c1-9(10(11,12)13)7-5-2-3-6(4-5)8(7)14-9/h5-8H,2-4H2,1H3
InChIKeySMXYLRZQCPAAQF-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.75
Rot. Bonds

About 4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane

4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane (PubChem CID 21033010) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane.

Molecular Properties

Compound Name4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
PubChem CID21033010
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
SMILESCC1(C(F)(F)F)OC2C3CCC(C3)C21
InChIInChI=1S/C10H13F3O/c1-9(10(11,12)13)7-5-2-3-6(4-5)8(7)14-9/h5-8H,2-4H2,1H3
InChIKeySMXYLRZQCPAAQF-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane?
The IUPAC name of 4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane (CID 21033010) is 4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane.
What is the SMILES notation for 4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane?
The canonical SMILES for 4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane is CC1(C(F)(F)F)OC2C3CCC(C3)C21.
What is the InChIKey of 4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane?
The InChIKey is SMXYLRZQCPAAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-9(10(11,12)13)7-5-2-3-6(4-5)8(7)14-9/h5-8H,2-4H2,1H3.
What are the key properties of 4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane?
4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane has a molecular weight of 206.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane is sourced from PubChem (CID 21033010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).