1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene

C14H16F6O — CID 144809491

IUPAC1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene
SMILESCC1=CC=C(C(F)(F)OC2CCCCC2)C(F)(F)C1(F)F
InChIInChI=1S/C14H16F6O/c1-9-7-8-11(13(17,18)12(9,15)16)14(19,20)21-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyBZJOPOGRDFRBDP-UHFFFAOYSA-N
MW314.27 g/mol
LogP5.09
Rot. Bonds3

About 1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene

1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene (PubChem CID 144809491) has the molecular formula C14H16F6O and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene
PubChem CID144809491
Molecular FormulaC14H16F6O
Molecular Weight314.27 g/mol
Exact Mass314.11
IUPAC Name1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene
SMILESCC1=CC=C(C(F)(F)OC2CCCCC2)C(F)(F)C1(F)F
InChIInChI=1S/C14H16F6O/c1-9-7-8-11(13(17,18)12(9,15)16)14(19,20)21-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyBZJOPOGRDFRBDP-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.27
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene?
The IUPAC name of 1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene (CID 144809491) is 1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene is CC1=CC=C(C(F)(F)OC2CCCCC2)C(F)(F)C1(F)F.
What is the InChIKey of 1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene?
The InChIKey is BZJOPOGRDFRBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6O/c1-9-7-8-11(13(17,18)12(9,15)16)14(19,20)21-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene?
1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene has a molecular weight of 314.27 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene is sourced from PubChem (CID 144809491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).