5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene

C25H19F7O — CID 134560861

IUPAC5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene
SMILESFc1cc(-c2c(F)cc(C3CCC(COc4c(F)cccc4F)CC3)cc2F)cc(F)c1F
InChIInChI=1S/C25H19F7O/c26-17-2-1-3-18(27)25(17)33-12-13-4-6-14(7-5-13)15-8-19(28)23(20(29)9-15)16-10-21(30)24(32)22(31)11-16/h1-3,8-11,13-14H,4-7,12H2
InChIKeyOEYFGLKPFLLUAT-UHFFFAOYSA-N
MW468.41 g/mol
LogP7.68
Rot. Bonds5

About 5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene

5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene (PubChem CID 134560861) has the molecular formula C25H19F7O and a molecular weight of 468.41 g/mol. Its IUPAC name is 5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene.

Molecular Properties

Compound Name5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene
PubChem CID134560861
Molecular FormulaC25H19F7O
Molecular Weight468.41 g/mol
Exact Mass468.13
IUPAC Name5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene
SMILESFc1cc(-c2c(F)cc(C3CCC(COc4c(F)cccc4F)CC3)cc2F)cc(F)c1F
InChIInChI=1S/C25H19F7O/c26-17-2-1-3-18(27)25(17)33-12-13-4-6-14(7-5-13)15-8-19(28)23(20(29)9-15)16-10-21(30)24(32)22(31)11-16/h1-3,8-11,13-14H,4-7,12H2
InChIKeyOEYFGLKPFLLUAT-UHFFFAOYSA-N
XLogP7.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.41
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene
CID 130191401
2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene
CID 18720941
1-[3,5-difluoro-4-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]phenyl]propan-1-amine
CID 130203765
1-[3,5-difluoro-4-[[4-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]methoxy]phenyl]propan-1-amine
CID 130203732
5-butyl-1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]methoxy]benzene
CID 130191421
1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]methoxy]-5-pentylbenzene
CID 130191423
2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 58699195
1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene
CID 59382984
4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol
CID 20663575
4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane
CID 54458471
1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene
CID 59938749
2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride
CID 84711266

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene?
The IUPAC name of 5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene (CID 134560861) is 5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene.
What is the SMILES notation for 5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene?
The canonical SMILES for 5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene is Fc1cc(-c2c(F)cc(C3CCC(COc4c(F)cccc4F)CC3)cc2F)cc(F)c1F.
What is the InChIKey of 5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene?
The InChIKey is OEYFGLKPFLLUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F7O/c26-17-2-1-3-18(27)25(17)33-12-13-4-6-14(7-5-13)15-8-19(28)23(20(29)9-15)16-10-21(30)24(32)22(31)11-16/h1-3,8-11,13-14H,4-7,12H2.
What are the key properties of 5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene?
5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene has a molecular weight of 468.41 g/mol, XLogP of 7.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene is sourced from PubChem (CID 134560861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).