1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane

C10H18F2O2 — CID 58719068

IUPAC1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane
SMILESCCOC1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C10H18F2O2/c1-3-14-9-6-4-8(5-7-9)10(11,12)13-2/h8-9H,3-7H2,1-2H3
InChIKeyIURCYIYGGKVQLL-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.82
Rot. Bonds4

About 1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane

1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane (PubChem CID 58719068) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane
PubChem CID58719068
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane
SMILESCCOC1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C10H18F2O2/c1-3-14-9-6-4-8(5-7-9)10(11,12)13-2/h8-9H,3-7H2,1-2H3
InChIKeyIURCYIYGGKVQLL-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane?
The IUPAC name of 1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane (CID 58719068) is 1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane is CCOC1CCC(C(F)(F)OC)CC1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane?
The InChIKey is IURCYIYGGKVQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-3-14-9-6-4-8(5-7-9)10(11,12)13-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane?
1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane has a molecular weight of 208.25 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(methoxy)methyl]-4-ethoxycyclohexane is sourced from PubChem (CID 58719068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).