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

C10H16F4O2 — CID 18731745

IUPAC1,3-bis[difluoro(methoxy)methyl]cyclohexane
SMILESCOC(F)(F)C1CCCC(C(F)(F)OC)C1
InChIInChI=1S/C10H16F4O2/c1-15-9(11,12)7-4-3-5-8(6-7)10(13,14)16-2/h7-8H,3-6H2,1-2H3
InChIKeyZNGHQYBOZZXEPN-UHFFFAOYSA-N
MW244.23 g/mol
LogP3.27
Rot. Bonds4

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

1,3-bis[difluoro(methoxy)methyl]cyclohexane (PubChem CID 18731745) has the molecular formula C10H16F4O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 1,3-bis[difluoro(methoxy)methyl]cyclohexane.

Molecular Properties

Compound Name1,3-bis[difluoro(methoxy)methyl]cyclohexane
PubChem CID18731745
Molecular FormulaC10H16F4O2
Molecular Weight244.23 g/mol
Exact Mass244.11
IUPAC Name1,3-bis[difluoro(methoxy)methyl]cyclohexane
SMILESCOC(F)(F)C1CCCC(C(F)(F)OC)C1
InChIInChI=1S/C10H16F4O2/c1-15-9(11,12)7-4-3-5-8(6-7)10(13,14)16-2/h7-8H,3-6H2,1-2H3
InChIKeyZNGHQYBOZZXEPN-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.27
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]cyclohexane?
The IUPAC name of 1,3-bis[difluoro(methoxy)methyl]cyclohexane (CID 18731745) is 1,3-bis[difluoro(methoxy)methyl]cyclohexane.
What is the SMILES notation for 1,3-bis[difluoro(methoxy)methyl]cyclohexane?
The canonical SMILES for 1,3-bis[difluoro(methoxy)methyl]cyclohexane is COC(F)(F)C1CCCC(C(F)(F)OC)C1.
What is the InChIKey of 1,3-bis[difluoro(methoxy)methyl]cyclohexane?
The InChIKey is ZNGHQYBOZZXEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4O2/c1-15-9(11,12)7-4-3-5-8(6-7)10(13,14)16-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,3-bis[difluoro(methoxy)methyl]cyclohexane?
1,3-bis[difluoro(methoxy)methyl]cyclohexane has a molecular weight of 244.23 g/mol, XLogP of 3.27, 4 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]cyclohexane is sourced from PubChem (CID 18731745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).