1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane

C11H20F2O — CID 121406265

IUPAC1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane
SMILESCOC1(CC(C)C)CCC(F)(F)CC1
InChIInChI=1S/C11H20F2O/c1-9(2)8-10(14-3)4-6-11(12,13)7-5-10/h9H,4-8H2,1-3H3
InChIKeyIOHGMAWEAUAGQU-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.63
Rot. Bonds3

About 1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane

1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane (PubChem CID 121406265) has the molecular formula C11H20F2O and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane
PubChem CID121406265
Molecular FormulaC11H20F2O
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane
SMILESCOC1(CC(C)C)CCC(F)(F)CC1
InChIInChI=1S/C11H20F2O/c1-9(2)8-10(14-3)4-6-11(12,13)7-5-10/h9H,4-8H2,1-3H3
InChIKeyIOHGMAWEAUAGQU-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane?
The IUPAC name of 1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane (CID 121406265) is 1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane?
The canonical SMILES for 1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane is COC1(CC(C)C)CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane?
The InChIKey is IOHGMAWEAUAGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O/c1-9(2)8-10(14-3)4-6-11(12,13)7-5-10/h9H,4-8H2,1-3H3.
What are the key properties of 1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane?
1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane has a molecular weight of 206.28 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methoxy-4-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 121406265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).