1-[ethoxy(difluoro)methyl]-3-methylcyclohexane

C10H18F2O — CID 18731748

IUPAC1-[ethoxy(difluoro)methyl]-3-methylcyclohexane
SMILESCCOC(F)(F)C1CCCC(C)C1
InChIInChI=1S/C10H18F2O/c1-3-13-10(11,12)9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3
InChIKeyRKTNYBJTWBPQNH-UHFFFAOYSA-N
MW192.25 g/mol
LogP3.44
Rot. Bonds3

About 1-[ethoxy(difluoro)methyl]-3-methylcyclohexane

1-[ethoxy(difluoro)methyl]-3-methylcyclohexane (PubChem CID 18731748) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-[ethoxy(difluoro)methyl]-3-methylcyclohexane.

Molecular Properties

Compound Name1-[ethoxy(difluoro)methyl]-3-methylcyclohexane
PubChem CID18731748
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name1-[ethoxy(difluoro)methyl]-3-methylcyclohexane
SMILESCCOC(F)(F)C1CCCC(C)C1
InChIInChI=1S/C10H18F2O/c1-3-13-10(11,12)9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3
InChIKeyRKTNYBJTWBPQNH-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[Ethoxy(difluoro)methyl]-4-methylcyclohexane
CID 11805558
[Difluoro(methoxy)methyl]cyclohexane
CID 14491590
2,2,2-Trifluoroethoxymethylcyclohexane
CID 14970149
[Cyclopropylmethoxy(difluoro)methyl]cyclohexane
CID 176426576
[Cyclobutylmethoxy(difluoro)methyl]cyclohexane
CID 176426578
3-(2,2,2-Trifluoroethoxy)propylcyclohexane
CID 121221077
2-(1,1,2,2-Tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane
CID 18710874
1-[Difluoro(methoxy)methyl]-3-(fluoromethyl)-5-methylcyclohexane
CID 18725562
1-[Difluoro(methoxy)methyl]-3-methylcyclohexane
CID 18725563
1-[Difluoro(methoxy)methyl]-4-fluorocyclohexane
CID 18725564
1-[Difluoro(methoxy)methyl]-4-methylcyclohexane
CID 18725565
(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(difluoro)methyl]-3-methylcyclohexane?
The IUPAC name of 1-[ethoxy(difluoro)methyl]-3-methylcyclohexane (CID 18731748) is 1-[ethoxy(difluoro)methyl]-3-methylcyclohexane.
What is the SMILES notation for 1-[ethoxy(difluoro)methyl]-3-methylcyclohexane?
The canonical SMILES for 1-[ethoxy(difluoro)methyl]-3-methylcyclohexane is CCOC(F)(F)C1CCCC(C)C1.
What is the InChIKey of 1-[ethoxy(difluoro)methyl]-3-methylcyclohexane?
The InChIKey is RKTNYBJTWBPQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-3-13-10(11,12)9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-[ethoxy(difluoro)methyl]-3-methylcyclohexane?
1-[ethoxy(difluoro)methyl]-3-methylcyclohexane has a molecular weight of 192.25 g/mol, XLogP of 3.44, 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]-3-methylcyclohexane is sourced from PubChem (CID 18731748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).