4-methyl-1,2-bis(trifluoromethoxy)cyclohexane

C9H12F6O2 — CID 20643370

IUPAC4-methyl-1,2-bis(trifluoromethoxy)cyclohexane
SMILESCC1CCC(OC(F)(F)F)C(OC(F)(F)F)C1
InChIInChI=1S/C9H12F6O2/c1-5-2-3-6(16-8(10,11)12)7(4-5)17-9(13,14)15/h5-7H,2-4H2,1H3
InChIKeyWSDFNSUTWJVTKC-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.62
Rot. Bonds2

About 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane

4-methyl-1,2-bis(trifluoromethoxy)cyclohexane (PubChem CID 20643370) has the molecular formula C9H12F6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane.

Molecular Properties

Compound Name4-methyl-1,2-bis(trifluoromethoxy)cyclohexane
PubChem CID20643370
Molecular FormulaC9H12F6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name4-methyl-1,2-bis(trifluoromethoxy)cyclohexane
SMILESCC1CCC(OC(F)(F)F)C(OC(F)(F)F)C1
InChIInChI=1S/C9H12F6O2/c1-5-2-3-6(16-8(10,11)12)7(4-5)17-9(13,14)15/h5-7H,2-4H2,1H3
InChIKeyWSDFNSUTWJVTKC-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane?
The IUPAC name of 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane (CID 20643370) is 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane.
What is the SMILES notation for 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane?
The canonical SMILES for 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane is CC1CCC(OC(F)(F)F)C(OC(F)(F)F)C1.
What is the InChIKey of 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane?
The InChIKey is WSDFNSUTWJVTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O2/c1-5-2-3-6(16-8(10,11)12)7(4-5)17-9(13,14)15/h5-7H,2-4H2,1H3.
What are the key properties of 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane?
4-methyl-1,2-bis(trifluoromethoxy)cyclohexane has a molecular weight of 266.18 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane is sourced from PubChem (CID 20643370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).