1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene

C26H26F4O2 — CID 70176489

IUPAC1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene
SMILESCCCCc1ccc(OC(F)(F)c2ccc(C(F)(F)Oc3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C26H26F4O2/c1-3-5-6-20-9-17-24(18-10-20)32-26(29,30)22-13-11-21(12-14-22)25(27,28)31-23-15-7-19(4-2)8-16-23/h7-18H,3-6H2,1-2H3
InChIKeyCBVLEAKKVOXWSD-UHFFFAOYSA-N
MW446.48 g/mol
LogP7.85
Rot. Bonds10

About 1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene

1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene (PubChem CID 70176489) has the molecular formula C26H26F4O2 and a molecular weight of 446.48 g/mol. Its IUPAC name is 1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene.

Molecular Properties

Compound Name1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene
PubChem CID70176489
Molecular FormulaC26H26F4O2
Molecular Weight446.48 g/mol
Exact Mass446.19
IUPAC Name1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene
SMILESCCCCc1ccc(OC(F)(F)c2ccc(C(F)(F)Oc3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C26H26F4O2/c1-3-5-6-20-9-17-24(18-10-20)32-26(29,30)22-13-11-21(12-14-22)25(27,28)31-23-15-7-19(4-2)8-16-23/h7-18H,3-6H2,1-2H3
InChIKeyCBVLEAKKVOXWSD-UHFFFAOYSA-N
XLogP7.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.48
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-4-[[4-[difluoro-(4-heptylphenoxy)methyl]phenyl]-difluoromethoxy]benzene
CID 70176932
1-butyl-4-[difluoro-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]methyl]benzene
CID 70176561
1-[difluoro-(4-heptylphenoxy)methyl]-4-[difluoro-(4-nonylphenoxy)methyl]benzene
CID 70177776
1-[difluoro-(4-hexylphenoxy)methyl]-4-[difluoro-(4-pentylphenoxy)methyl]benzene
CID 70178127
1-[difluoro-(4-nonylphenoxy)methyl]-4-[difluoro-(4-propylphenoxy)methyl]benzene
CID 70176896
6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene
CID 139864159
2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene
CID 139854513
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117
1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene
CID 54046364
1-butyl-4-[[1,1-difluoro-2-[4-(trifluoromethoxy)phenyl]ethoxy]methyl]benzene
CID 139748785
[3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite
CID 130310575
5-[4-[4-[4-[difluoro-(4-pentylphenyl)methoxy]phenyl]-2-fluorophenyl]-2-fluorophenyl]-1,3-difluoro-2-propylbenzene
CID 59328953

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene?
The IUPAC name of 1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene (CID 70176489) is 1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene.
What is the SMILES notation for 1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene?
The canonical SMILES for 1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene is CCCCc1ccc(OC(F)(F)c2ccc(C(F)(F)Oc3ccc(CC)cc3)cc2)cc1.
What is the InChIKey of 1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene?
The InChIKey is CBVLEAKKVOXWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4O2/c1-3-5-6-20-9-17-24(18-10-20)32-26(29,30)22-13-11-21(12-14-22)25(27,28)31-23-15-7-19(4-2)8-16-23/h7-18H,3-6H2,1-2H3.
What are the key properties of 1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene?
1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene has a molecular weight of 446.48 g/mol, XLogP of 7.85, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene is sourced from PubChem (CID 70176489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).