1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane

C12H23F3O2 — CID 87864753

IUPAC1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane
SMILESCOCC(CC(C)C)C(CCC(F)(F)F)OC
InChIInChI=1S/C12H23F3O2/c1-9(2)7-10(8-16-3)11(17-4)5-6-12(13,14)15/h9-11H,5-8H2,1-4H3
InChIKeyBRMZOFJWFINDTL-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.65
Rot. Bonds8

About 1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane

1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane (PubChem CID 87864753) has the molecular formula C12H23F3O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane
PubChem CID87864753
Molecular FormulaC12H23F3O2
Molecular Weight256.31 g/mol
Exact Mass256.17
IUPAC Name1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane
SMILESCOCC(CC(C)C)C(CCC(F)(F)F)OC
InChIInChI=1S/C12H23F3O2/c1-9(2)7-10(8-16-3)11(17-4)5-6-12(13,14)15/h9-11H,5-8H2,1-4H3
InChIKeyBRMZOFJWFINDTL-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane?
The IUPAC name of 1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane (CID 87864753) is 1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane.
What is the SMILES notation for 1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane?
The canonical SMILES for 1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane is COCC(CC(C)C)C(CCC(F)(F)F)OC.
What is the InChIKey of 1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane?
The InChIKey is BRMZOFJWFINDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O2/c1-9(2)7-10(8-16-3)11(17-4)5-6-12(13,14)15/h9-11H,5-8H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane?
1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane has a molecular weight of 256.31 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methoxy-5-(methoxymethyl)-7-methyloctane is sourced from PubChem (CID 87864753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).