1-tert-butyl-4-ethoxy-2-fluorocyclohexane

C12H23FO — CID 164775360

IUPAC1-tert-butyl-4-ethoxy-2-fluorocyclohexane
SMILESCCOC1CCC(C(C)(C)C)C(F)C1
InChIInChI=1S/C12H23FO/c1-5-14-9-6-7-10(11(13)8-9)12(2,3)4/h9-11H,5-8H2,1-4H3
InChIKeyRNEYBPXENBOJLV-UHFFFAOYSA-N
MW202.31 g/mol
LogP3.58
Rot. Bonds2

About 1-tert-butyl-4-ethoxy-2-fluorocyclohexane

1-tert-butyl-4-ethoxy-2-fluorocyclohexane (PubChem CID 164775360) has the molecular formula C12H23FO and a molecular weight of 202.31 g/mol. Its IUPAC name is 1-tert-butyl-4-ethoxy-2-fluorocyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-ethoxy-2-fluorocyclohexane
PubChem CID164775360
Molecular FormulaC12H23FO
Molecular Weight202.31 g/mol
Exact Mass202.17
IUPAC Name1-tert-butyl-4-ethoxy-2-fluorocyclohexane
SMILESCCOC1CCC(C(C)(C)C)C(F)C1
InChIInChI=1S/C12H23FO/c1-5-14-9-6-7-10(11(13)8-9)12(2,3)4/h9-11H,5-8H2,1-4H3
InChIKeyRNEYBPXENBOJLV-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethoxy-2-fluorocyclohexane?
The IUPAC name of 1-tert-butyl-4-ethoxy-2-fluorocyclohexane (CID 164775360) is 1-tert-butyl-4-ethoxy-2-fluorocyclohexane.
What is the SMILES notation for 1-tert-butyl-4-ethoxy-2-fluorocyclohexane?
The canonical SMILES for 1-tert-butyl-4-ethoxy-2-fluorocyclohexane is CCOC1CCC(C(C)(C)C)C(F)C1.
What is the InChIKey of 1-tert-butyl-4-ethoxy-2-fluorocyclohexane?
The InChIKey is RNEYBPXENBOJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO/c1-5-14-9-6-7-10(11(13)8-9)12(2,3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-4-ethoxy-2-fluorocyclohexane?
1-tert-butyl-4-ethoxy-2-fluorocyclohexane has a molecular weight of 202.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethoxy-2-fluorocyclohexane is sourced from PubChem (CID 164775360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).