1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane

C15H25F3O — CID 19026572

IUPAC1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
SMILESCOC1CCC(C2CCC(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H25F3O/c1-19-14-8-6-13(7-9-14)12-4-2-11(3-5-12)10-15(16,17)18/h11-14H,2-10H2,1H3
InChIKeyHSTCZXUXAHAIOQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.95
Rot. Bonds3

About 1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane

1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane (PubChem CID 19026572) has the molecular formula C15H25F3O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
PubChem CID19026572
Molecular FormulaC15H25F3O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
SMILESCOC1CCC(C2CCC(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H25F3O/c1-19-14-8-6-13(7-9-14)12-4-2-11(3-5-12)10-15(16,17)18/h11-14H,2-10H2,1H3
InChIKeyHSTCZXUXAHAIOQ-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane (CID 19026572) is 1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane is COC1CCC(C2CCC(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane?
The InChIKey is HSTCZXUXAHAIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O/c1-19-14-8-6-13(7-9-14)12-4-2-11(3-5-12)10-15(16,17)18/h11-14H,2-10H2,1H3.
What are the key properties of 1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane?
1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane has a molecular weight of 278.36 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 19026572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).