2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene

C22H25F3O — CID 59874030

IUPAC2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene
SMILESCCCOc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2)c(F)c1F
InChIInChI=1S/C22H25F3O/c1-3-12-26-20-11-10-18(21(24)22(20)25)16-8-9-17(19(23)13-16)15-6-4-14(2)5-7-15/h8-11,13-15H,3-7,12H2,1-2H3
InChIKeyVRVIRZBPOHVZCX-UHFFFAOYSA-N
MW362.44 g/mol
LogP6.85
Rot. Bonds5

About 2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene

2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene (PubChem CID 59874030) has the molecular formula C22H25F3O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene
PubChem CID59874030
Molecular FormulaC22H25F3O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene
SMILESCCCOc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2)c(F)c1F
InChIInChI=1S/C22H25F3O/c1-3-12-26-20-11-10-18(21(24)22(20)25)16-8-9-17(19(23)13-16)15-6-4-14(2)5-7-15/h8-11,13-15H,3-7,12H2,1-2H3
InChIKeyVRVIRZBPOHVZCX-UHFFFAOYSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[4-(4-ethenylcyclohexyl)-3-fluorophenyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 67730403
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane
CID 126764609
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-propoxybenzene
CID 67737810
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764610
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 67737891
1-[4-[4-(4-but-3-enylcyclohexyl)-3-fluorophenyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 67730547
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene
CID 129171181
1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
CID 134386235
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2-fluorophenyl]-2-propyloxane
CID 67733391
1-(4-butylcyclohexyl)-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 141107099
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-octoxybenzene
CID 67730257
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene?
The IUPAC name of 2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene (CID 59874030) is 2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene.
What is the SMILES notation for 2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene?
The canonical SMILES for 2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene is CCCOc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene?
The InChIKey is VRVIRZBPOHVZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3O/c1-3-12-26-20-11-10-18(21(24)22(20)25)16-8-9-17(19(23)13-16)15-6-4-14(2)5-7-15/h8-11,13-15H,3-7,12H2,1-2H3.
What are the key properties of 2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene?
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene has a molecular weight of 362.44 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene is sourced from PubChem (CID 59874030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).