[5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane

C14H26F2O2 — CID 174162236

IUPAC[5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
SMILESCOCC(CCC(F)F)(COC)C1CCCCC1
InChIInChI=1S/C14H26F2O2/c1-17-10-14(11-18-2,9-8-13(15)16)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3
InChIKeyLVZOMBZTMCXBHA-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.89
Rot. Bonds8

About [5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane

[5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane (PubChem CID 174162236) has the molecular formula C14H26F2O2 and a molecular weight of 264.36 g/mol. Its IUPAC name is [5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane.

Molecular Properties

Compound Name[5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
PubChem CID174162236
Molecular FormulaC14H26F2O2
Molecular Weight264.36 g/mol
Exact Mass264.19
IUPAC Name[5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
SMILESCOCC(CCC(F)F)(COC)C1CCCCC1
InChIInChI=1S/C14H26F2O2/c1-17-10-14(11-18-2,9-8-13(15)16)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3
InChIKeyLVZOMBZTMCXBHA-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane?
The IUPAC name of [5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane (CID 174162236) is [5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane.
What is the SMILES notation for [5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane?
The canonical SMILES for [5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane is COCC(CCC(F)F)(COC)C1CCCCC1.
What is the InChIKey of [5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane?
The InChIKey is LVZOMBZTMCXBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O2/c1-17-10-14(11-18-2,9-8-13(15)16)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3.
What are the key properties of [5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane?
[5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane has a molecular weight of 264.36 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane is sourced from PubChem (CID 174162236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).