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

C20H28F4O — CID 121476166

IUPAC5,5,6,6-tetrafluoro-1-(4-pentylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene
SMILESC=CCOC1=CC=C(C2CCC(CCCCC)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C20H28F4O/c1-3-5-6-7-15-8-10-16(11-9-15)17-12-13-18(25-14-4-2)20(23,24)19(17,21)22/h4,12-13,15-16H,2-3,5-11,14H2,1H3
InChIKeyZTQJPGOIDCFRTR-UHFFFAOYSA-N
MW360.44 g/mol
LogP6.67
Rot. Bonds8

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

5,5,6,6-tetrafluoro-1-(4-pentylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene (PubChem CID 121476166) has the molecular formula C20H28F4O and a molecular weight of 360.44 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1-(4-pentylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1-(4-pentylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene
PubChem CID121476166
Molecular FormulaC20H28F4O
Molecular Weight360.44 g/mol
Exact Mass360.21
IUPAC Name5,5,6,6-tetrafluoro-1-(4-pentylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene
SMILESC=CCOC1=CC=C(C2CCC(CCCCC)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C20H28F4O/c1-3-5-6-7-15-8-10-16(11-9-15)17-12-13-18(25-14-4-2)20(23,24)19(17,21)22/h4,12-13,15-16H,2-3,5-11,14H2,1H3
InChIKeyZTQJPGOIDCFRTR-UHFFFAOYSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-pentylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluoro-1-(4-pentylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene (CID 121476166) is 5,5,6,6-tetrafluoro-1-(4-pentylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-1-(4-pentylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluoro-1-(4-pentylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene is C=CCOC1=CC=C(C2CCC(CCCCC)CC2)C(F)(F)C1(F)F.
What is the InChIKey of 5,5,6,6-tetrafluoro-1-(4-pentylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene?
The InChIKey is ZTQJPGOIDCFRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F4O/c1-3-5-6-7-15-8-10-16(11-9-15)17-12-13-18(25-14-4-2)20(23,24)19(17,21)22/h4,12-13,15-16H,2-3,5-11,14H2,1H3.
What are the key properties of 5,5,6,6-tetrafluoro-1-(4-pentylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1-(4-pentylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene has a molecular weight of 360.44 g/mol, XLogP of 6.67, 8 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-pentylcyclohexyl)-4-prop-2-enoxycyclohexa-1,3-diene is sourced from PubChem (CID 121476166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).