2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene

C15H8F8O — CID 21026855

IUPAC2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene
SMILESCc1cc(F)c(-c2cc(F)c(OC(F)C(F)(F)F)c(F)c2)c(F)c1
InChIInChI=1S/C15H8F8O/c1-6-2-8(16)12(9(17)3-6)7-4-10(18)13(11(19)5-7)24-14(20)15(21,22)23/h2-5,14H,1H3
InChIKeyLUMIDNLBKNPNEG-UHFFFAOYSA-N
MW356.21 g/mol
LogP5.46
Rot. Bonds3

About 2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene

2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene (PubChem CID 21026855) has the molecular formula C15H8F8O and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene
PubChem CID21026855
Molecular FormulaC15H8F8O
Molecular Weight356.21 g/mol
Exact Mass356.04
IUPAC Name2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene
SMILESCc1cc(F)c(-c2cc(F)c(OC(F)C(F)(F)F)c(F)c2)c(F)c1
InChIInChI=1S/C15H8F8O/c1-6-2-8(16)12(9(17)3-6)7-4-10(18)13(11(19)5-7)24-14(20)15(21,22)23/h2-5,14H,1H3
InChIKeyLUMIDNLBKNPNEG-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.21
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene
CID 21026870
2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene
CID 22886332
2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene
CID 21026873
2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene
CID 18344232
1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene
CID 57059060
2-(difluoromethoxy)-3-fluoro-5-methylaniline;hydrochloride
CID 119081480
1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-(4-methylphenyl)benzene
CID 21026826
1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene
CID 137449218
7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene
CID 58839694
2-[3-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-3,5-difluorophenoxy]-3,3-difluoropropyl]-1,3-difluoro-5-methylbenzene
CID 154529771
2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene
CID 59207583
2-[4-[4-[[4-(difluoromethoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methyloxane;2-[4-[4-[[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methyloxane;tris(2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-methyloxane);tris(2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-methyloxane)
CID 159168832

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene?
The IUPAC name of 2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene (CID 21026855) is 2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene.
What is the SMILES notation for 2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene?
The canonical SMILES for 2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene is Cc1cc(F)c(-c2cc(F)c(OC(F)C(F)(F)F)c(F)c2)c(F)c1.
What is the InChIKey of 2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene?
The InChIKey is LUMIDNLBKNPNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F8O/c1-6-2-8(16)12(9(17)3-6)7-4-10(18)13(11(19)5-7)24-14(20)15(21,22)23/h2-5,14H,1H3.
What are the key properties of 2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene?
2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene has a molecular weight of 356.21 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene is sourced from PubChem (CID 21026855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).