1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane

C11H17F5O2 — CID 18731744

IUPAC1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane
SMILESCOC(F)(F)C1CC(CF)CC(C(F)(F)OC)C1
InChIInChI=1S/C11H17F5O2/c1-17-10(13,14)8-3-7(6-12)4-9(5-8)11(15,16)18-2/h7-9H,3-6H2,1-2H3
InChIKeyMKCBVXBSOSZTGI-UHFFFAOYSA-N
MW276.25 g/mol
LogP3.47
Rot. Bonds5

About 1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane

1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane (PubChem CID 18731744) has the molecular formula C11H17F5O2 and a molecular weight of 276.25 g/mol. Its IUPAC name is 1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane.

Molecular Properties

Compound Name1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane
PubChem CID18731744
Molecular FormulaC11H17F5O2
Molecular Weight276.25 g/mol
Exact Mass276.11
IUPAC Name1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane
SMILESCOC(F)(F)C1CC(CF)CC(C(F)(F)OC)C1
InChIInChI=1S/C11H17F5O2/c1-17-10(13,14)8-3-7(6-12)4-9(5-8)11(15,16)18-2/h7-9H,3-6H2,1-2H3
InChIKeyMKCBVXBSOSZTGI-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane?
The IUPAC name of 1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane (CID 18731744) is 1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane.
What is the SMILES notation for 1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane?
The canonical SMILES for 1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane is COC(F)(F)C1CC(CF)CC(C(F)(F)OC)C1.
What is the InChIKey of 1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane?
The InChIKey is MKCBVXBSOSZTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F5O2/c1-17-10(13,14)8-3-7(6-12)4-9(5-8)11(15,16)18-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane?
1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane has a molecular weight of 276.25 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[difluoro(methoxy)methyl]-5-(fluoromethyl)cyclohexane is sourced from PubChem (CID 18731744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).