1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane

C9H15F3O — CID 18731749

IUPAC1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane
SMILESCCOC(F)(F)C1CCC(F)CC1
InChIInChI=1S/C9H15F3O/c1-2-13-9(11,12)7-3-5-8(10)6-4-7/h7-8H,2-6H2,1H3
InChIKeyJNLYFHDZTKRRAO-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.14
Rot. Bonds3

About 1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane

1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane (PubChem CID 18731749) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane.

Molecular Properties

Compound Name1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane
PubChem CID18731749
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane
SMILESCCOC(F)(F)C1CCC(F)CC1
InChIInChI=1S/C9H15F3O/c1-2-13-9(11,12)7-3-5-8(10)6-4-7/h7-8H,2-6H2,1H3
InChIKeyJNLYFHDZTKRRAO-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane?
The IUPAC name of 1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane (CID 18731749) is 1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane.
What is the SMILES notation for 1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane?
The canonical SMILES for 1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane is CCOC(F)(F)C1CCC(F)CC1.
What is the InChIKey of 1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane?
The InChIKey is JNLYFHDZTKRRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-2-13-9(11,12)7-3-5-8(10)6-4-7/h7-8H,2-6H2,1H3.
What are the key properties of 1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane?
1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane has a molecular weight of 196.21 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(difluoro)methyl]-4-fluorocyclohexane is sourced from PubChem (CID 18731749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).