1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene

C22H25F3O — CID 19064157

IUPAC1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(C(F)(F)Oc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H25F3O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)22(24,25)26-21-14-12-20(23)13-15-21/h8-17H,2-7H2,1H3
InChIKeyLAWOAQCZUGTBPW-UHFFFAOYSA-N
MW362.44 g/mol
LogP7.03
Rot. Bonds6

About 1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene

1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene (PubChem CID 19064157) has the molecular formula C22H25F3O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
PubChem CID19064157
Molecular FormulaC22H25F3O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(C(F)(F)Oc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H25F3O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)22(24,25)26-21-14-12-20(23)13-15-21/h8-17H,2-7H2,1H3
InChIKeyLAWOAQCZUGTBPW-UHFFFAOYSA-N
XLogP7.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405
5-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,3-trifluorobenzene
CID 70176343
2-[difluoro-(4-fluorophenoxy)methyl]-1,3-difluoro-5-(4-propylcyclohexyl)benzene
CID 20654174
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene
CID 10172158
4-[[4-(4-butylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethyl)benzene;4-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-2-fluoro-1-(trifluoromethyl)benzene;methane
CID 160811694
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
5-[[4-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]phenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 70173191
4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]benzonitrile
CID 67595253
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene
CID 20750897
3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal
CID 162547849
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene (CID 19064157) is 1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(C(F)(F)Oc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene?
The InChIKey is LAWOAQCZUGTBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)22(24,25)26-21-14-12-20(23)13-15-21/h8-17H,2-7H2,1H3.
What are the key properties of 1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene?
1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene has a molecular weight of 362.44 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 19064157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).