6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene

C13H18F2O — CID 173067766

IUPAC6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene
SMILESFC1=CC(F)(OCC2CCCCC2)CC=C1
InChIInChI=1S/C13H18F2O/c14-12-7-4-8-13(15,9-12)16-10-11-5-2-1-3-6-11/h4,7,9,11H,1-3,5-6,8,10H2
InChIKeyLZDAMYWQHYGHOT-UHFFFAOYSA-N
MW228.28 g/mol
LogP4.06
Rot. Bonds3

About 6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene

6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene (PubChem CID 173067766) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene
PubChem CID173067766
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene
SMILESFC1=CC(F)(OCC2CCCCC2)CC=C1
InChIInChI=1S/C13H18F2O/c14-12-7-4-8-13(15,9-12)16-10-11-5-2-1-3-6-11/h4,7,9,11H,1-3,5-6,8,10H2
InChIKeyLZDAMYWQHYGHOT-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene?
The IUPAC name of 6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene (CID 173067766) is 6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene?
The canonical SMILES for 6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene is FC1=CC(F)(OCC2CCCCC2)CC=C1.
What is the InChIKey of 6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene?
The InChIKey is LZDAMYWQHYGHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c14-12-7-4-8-13(15,9-12)16-10-11-5-2-1-3-6-11/h4,7,9,11H,1-3,5-6,8,10H2.
What are the key properties of 6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene?
6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene has a molecular weight of 228.28 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 173067766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).