2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene

C25H22F6O2 — CID 58953452

IUPAC2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene
SMILESCCCc1ccc(OC(F)(F)c2ccc(-c3ccc(OCC)cc3F)c(F)c2C(F)F)cc1
InChIInChI=1S/C25H22F6O2/c1-3-5-15-6-8-16(9-7-15)33-25(30,31)20-13-12-19(23(27)22(20)24(28)29)18-11-10-17(32-4-2)14-21(18)26/h6-14,24H,3-5H2,1-2H3
InChIKeyCKGVSZGVDODJBA-UHFFFAOYSA-N
MW468.44 g/mol
LogP8.05
Rot. Bonds9

About 2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene

2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene (PubChem CID 58953452) has the molecular formula C25H22F6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene.

Molecular Properties

Compound Name2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene
PubChem CID58953452
Molecular FormulaC25H22F6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene
SMILESCCCc1ccc(OC(F)(F)c2ccc(-c3ccc(OCC)cc3F)c(F)c2C(F)F)cc1
InChIInChI=1S/C25H22F6O2/c1-3-5-15-6-8-16(9-7-15)33-25(30,31)20-13-12-19(23(27)22(20)24(28)29)18-11-10-17(32-4-2)14-21(18)26/h6-14,24H,3-5H2,1-2H3
InChIKeyCKGVSZGVDODJBA-UHFFFAOYSA-N
XLogP8.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.44
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethyl)-1-[difluoro-(4-pentylphenoxy)methyl]-4-ethoxy-3-fluorobenzene
CID 58953415
1-[2,3-difluoro-4-(4-propylphenyl)phenyl]-4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorobenzene
CID 118611915
1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118592629
6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene
CID 139853837
2-fluoro-4-[5-[3-fluoro-4-(4-propylphenyl)phenoxy]-3-(trifluoromethyl)pentoxy]-1-(4-propylphenyl)benzene
CID 134273664
5-[[4-[difluoro-(4-propylphenyl)methoxy]-2-fluorophenyl]-difluoromethoxy]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 89280338
6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139856090
5-[4-[difluoro-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene
CID 59327968
2-[difluoro-(2-fluoro-4-propylphenoxy)methyl]-7-ethoxy-1,8,9,10-tetrafluoro-9,10-dihydrophenanthrene
CID 88552495
1-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-4-(2,3-difluoro-4-propylphenyl)-2,3-difluorobenzene
CID 118592657
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 159111708
6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene
CID 139854299

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene?
The IUPAC name of 2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene (CID 58953452) is 2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene.
What is the SMILES notation for 2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene?
The canonical SMILES for 2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene is CCCc1ccc(OC(F)(F)c2ccc(-c3ccc(OCC)cc3F)c(F)c2C(F)F)cc1.
What is the InChIKey of 2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene?
The InChIKey is CKGVSZGVDODJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F6O2/c1-3-5-15-6-8-16(9-7-15)33-25(30,31)20-13-12-19(23(27)22(20)24(28)29)18-11-10-17(32-4-2)14-21(18)26/h6-14,24H,3-5H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene?
2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene has a molecular weight of 468.44 g/mol, XLogP of 8.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene is sourced from PubChem (CID 58953452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).