5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene

C24H34F4O — CID 121476238

IUPAC5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
SMILESC=CCOC1=CC=C(C2CCC(C3CCC(CCC)CC3)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C24H34F4O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(29-16-4-2)24(27,28)23(21,25)26/h4,14-15,17-20H,2-3,5-13,16H2,1H3
InChIKeyDIANIFLVWOJERC-UHFFFAOYSA-N
MW414.53 g/mol
LogP7.70
Rot. Bonds7

About 5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene

5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene (PubChem CID 121476238) has the molecular formula C24H34F4O and a molecular weight of 414.53 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
PubChem CID121476238
Molecular FormulaC24H34F4O
Molecular Weight414.53 g/mol
Exact Mass414.25
IUPAC Name5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
SMILESC=CCOC1=CC=C(C2CCC(C3CCC(CCC)CC3)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C24H34F4O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(29-16-4-2)24(27,28)23(21,25)26/h4,14-15,17-20H,2-3,5-13,16H2,1H3
InChIKeyDIANIFLVWOJERC-UHFFFAOYSA-N
XLogP7.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 57.70
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'}

Analyze 5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene with MolForge

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Related Compounds

2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
2-[4-(3,5-difluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866593
2-(4-prop-2-enoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837373
5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene
CID 121476332
1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67893415
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
CID 121476314
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324
2-(4-butylcyclohexyl)-6-(2,3-difluoro-4-prop-2-enoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837474
2,3-difluoro-1-pent-4-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 69030502
5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene
CID 121476370
1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene
CID 121476149
2-(4-prop-2-enylphenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837174

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene (CID 121476238) is 5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene is C=CCOC1=CC=C(C2CCC(C3CCC(CCC)CC3)CC2)C(F)(F)C1(F)F.
What is the InChIKey of 5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The InChIKey is DIANIFLVWOJERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F4O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(29-16-4-2)24(27,28)23(21,25)26/h4,14-15,17-20H,2-3,5-13,16H2,1H3.
What are the key properties of 5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene has a molecular weight of 414.53 g/mol, XLogP of 7.70, 7 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-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene is sourced from PubChem (CID 121476238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).