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

C23H32F6O — CID 121478634

IUPAC1-[difluoro-(4-propylcyclohexyl)methoxy]-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene
SMILESCCCC1CCC(C(F)(F)OC2=CC=C(C3CCC(C)CC3)C(F)(F)C2(F)F)CC1
InChIInChI=1S/C23H32F6O/c1-3-4-16-7-11-18(12-8-16)23(28,29)30-20-14-13-19(21(24,25)22(20,26)27)17-9-5-15(2)6-10-17/h13-18H,3-12H2,1-2H3
InChIKeyRISYZGKVHRJGCD-UHFFFAOYSA-N
MW438.50 g/mol
LogP8.12
Rot. Bonds6

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

1-[difluoro-(4-propylcyclohexyl)methoxy]-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene (PubChem CID 121478634) has the molecular formula C23H32F6O and a molecular weight of 438.50 g/mol. Its IUPAC name is 1-[difluoro-(4-propylcyclohexyl)methoxy]-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[difluoro-(4-propylcyclohexyl)methoxy]-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene
PubChem CID121478634
Molecular FormulaC23H32F6O
Molecular Weight438.50 g/mol
Exact Mass438.24
IUPAC Name1-[difluoro-(4-propylcyclohexyl)methoxy]-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene
SMILESCCCC1CCC(C(F)(F)OC2=CC=C(C3CCC(C)CC3)C(F)(F)C2(F)F)CC1
InChIInChI=1S/C23H32F6O/c1-3-4-16-7-11-18(12-8-16)23(28,29)30-20-14-13-19(21(24,25)22(20,26)27)17-9-5-15(2)6-10-17/h13-18H,3-12H2,1-2H3
InChIKeyRISYZGKVHRJGCD-UHFFFAOYSA-N
XLogP8.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.50
LogP ≤ 58.12
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-[difluoro-(4-propylcyclohexyl)methoxy]-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene?
The IUPAC name of 1-[difluoro-(4-propylcyclohexyl)methoxy]-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene (CID 121478634) is 1-[difluoro-(4-propylcyclohexyl)methoxy]-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-[difluoro-(4-propylcyclohexyl)methoxy]-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-[difluoro-(4-propylcyclohexyl)methoxy]-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene is CCCC1CCC(C(F)(F)OC2=CC=C(C3CCC(C)CC3)C(F)(F)C2(F)F)CC1.
What is the InChIKey of 1-[difluoro-(4-propylcyclohexyl)methoxy]-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene?
The InChIKey is RISYZGKVHRJGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F6O/c1-3-4-16-7-11-18(12-8-16)23(28,29)30-20-14-13-19(21(24,25)22(20,26)27)17-9-5-15(2)6-10-17/h13-18H,3-12H2,1-2H3.
What are the key properties of 1-[difluoro-(4-propylcyclohexyl)methoxy]-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene?
1-[difluoro-(4-propylcyclohexyl)methoxy]-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene has a molecular weight of 438.50 g/mol, XLogP of 8.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(4-propylcyclohexyl)methoxy]-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene is sourced from PubChem (CID 121478634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).