1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene

C25H36F6O — CID 121476314

IUPAC1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=C(OC(F)(F)C2CCC(C3CCC(CCC)CC3)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C25H36F6O/c1-3-5-17-7-9-18(10-8-17)19-11-13-21(14-12-19)25(30,31)32-22-16-15-20(6-4-2)23(26,27)24(22,28)29/h15-19,21H,3-14H2,1-2H3
InChIKeyHXFVXTSSSMIFCH-UHFFFAOYSA-N
MW466.55 g/mol
LogP8.90
Rot. Bonds8

About 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene

1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene (PubChem CID 121476314) has the molecular formula C25H36F6O and a molecular weight of 466.55 g/mol. Its IUPAC name is 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
PubChem CID121476314
Molecular FormulaC25H36F6O
Molecular Weight466.55 g/mol
Exact Mass466.27
IUPAC Name1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=C(OC(F)(F)C2CCC(C3CCC(CCC)CC3)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C25H36F6O/c1-3-5-17-7-9-18(10-8-17)19-11-13-21(14-12-19)25(30,31)32-22-16-15-20(6-4-2)23(26,27)24(22,28)29/h15-19,21H,3-14H2,1-2H3
InChIKeyHXFVXTSSSMIFCH-UHFFFAOYSA-N
XLogP8.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.55
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene
CID 121476149
5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane
CID 144714424
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene
CID 121476370
1-[4-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]phenyl]-3,3,4,4,5,5,6,6-octafluoroazepane
CID 72737500
5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 121476238
4-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-2,6-difluorobenzoic acid
CID 20721618
1-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]ethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
CID 121476301
5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene
CID 121476332
1-[4-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]phenyl]prop-2-en-1-one
CID 59695826
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-(4-pentylcyclohexyl)-2,3-bis(trifluoromethyl)benzene
CID 20750894
4-[difluoro-[4-[4-(3-propylcyclopentyl)cyclohexyl]cyclohexyl]methoxy]-2-fluoro-1-(trifluoromethoxy)benzene
CID 58555559

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
The IUPAC name of 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene (CID 121476314) is 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene.
What is the SMILES notation for 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
The canonical SMILES for 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene is CCCC1=CC=C(OC(F)(F)C2CCC(C3CCC(CCC)CC3)CC2)C(F)(F)C1(F)F.
What is the InChIKey of 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
The InChIKey is HXFVXTSSSMIFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F6O/c1-3-5-17-7-9-18(10-8-17)19-11-13-21(14-12-19)25(30,31)32-22-16-15-20(6-4-2)23(26,27)24(22,28)29/h15-19,21H,3-14H2,1-2H3.
What are the key properties of 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene has a molecular weight of 466.55 g/mol, XLogP of 8.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene is sourced from PubChem (CID 121476314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).