5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane

C24H25F5O2 — CID 134560859

IUPAC5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane
SMILESFc1cc(COc2c(F)cc(C3CCC(C4CCCCC4)CO3)cc2F)cc(F)c1F
InChIInChI=1S/C24H25F5O2/c25-18-8-14(9-19(26)23(18)29)12-31-24-20(27)10-17(11-21(24)28)22-7-6-16(13-30-22)15-4-2-1-3-5-15/h8-11,15-16,22H,1-7,12-13H2
InChIKeyHBYUMCNNVTUZQN-UHFFFAOYSA-N
MW440.45 g/mol
LogP7.01
Rot. Bonds5

About 5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane

5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane (PubChem CID 134560859) has the molecular formula C24H25F5O2 and a molecular weight of 440.45 g/mol. Its IUPAC name is 5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane.

Molecular Properties

Compound Name5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane
PubChem CID134560859
Molecular FormulaC24H25F5O2
Molecular Weight440.45 g/mol
Exact Mass440.18
IUPAC Name5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane
SMILESFc1cc(COc2c(F)cc(C3CCC(C4CCCCC4)CO3)cc2F)cc(F)c1F
InChIInChI=1S/C24H25F5O2/c25-18-8-14(9-19(26)23(18)29)12-31-24-20(27)10-17(11-21(24)28)22-7-6-16(13-30-22)15-4-2-1-3-5-15/h8-11,15-16,22H,1-7,12-13H2
InChIKeyHBYUMCNNVTUZQN-UHFFFAOYSA-N
XLogP7.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.45
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane?
The IUPAC name of 5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane (CID 134560859) is 5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane.
What is the SMILES notation for 5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane?
The canonical SMILES for 5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane is Fc1cc(COc2c(F)cc(C3CCC(C4CCCCC4)CO3)cc2F)cc(F)c1F.
What is the InChIKey of 5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane?
The InChIKey is HBYUMCNNVTUZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F5O2/c25-18-8-14(9-19(26)23(18)29)12-31-24-20(27)10-17(11-21(24)28)22-7-6-16(13-30-22)15-4-2-1-3-5-15/h8-11,15-16,22H,1-7,12-13H2.
What are the key properties of 5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane?
5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane has a molecular weight of 440.45 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]oxane is sourced from PubChem (CID 134560859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).