5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene

C16H20F4O — CID 121478608

IUPAC5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene
SMILESC=CCOC1=CC=C(C2CCC(C)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C16H20F4O/c1-3-10-21-14-9-8-13(15(17,18)16(14,19)20)12-6-4-11(2)5-7-12/h3,8-9,11-12H,1,4-7,10H2,2H3
InChIKeyFSGRZYGBZNPIEH-UHFFFAOYSA-N
MW304.33 g/mol
LogP5.11
Rot. Bonds4

About 5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene

5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene (PubChem CID 121478608) has the molecular formula C16H20F4O and a molecular weight of 304.33 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene
PubChem CID121478608
Molecular FormulaC16H20F4O
Molecular Weight304.33 g/mol
Exact Mass304.15
IUPAC Name5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene
SMILESC=CCOC1=CC=C(C2CCC(C)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C16H20F4O/c1-3-10-21-14-9-8-13(15(17,18)16(14,19)20)12-6-4-11(2)5-7-12/h3,8-9,11-12H,1,4-7,10H2,2H3
InChIKeyFSGRZYGBZNPIEH-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.33
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene (CID 121478608) is 5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene is C=CCOC1=CC=C(C2CCC(C)CC2)C(F)(F)C1(F)F.
What is the InChIKey of 5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene?
The InChIKey is FSGRZYGBZNPIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4O/c1-3-10-21-14-9-8-13(15(17,18)16(14,19)20)12-6-4-11(2)5-7-12/h3,8-9,11-12H,1,4-7,10H2,2H3.
What are the key properties of 5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene has a molecular weight of 304.33 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene is sourced from PubChem (CID 121478608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).