2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene

C17H9F9O2 — CID 89308321

IUPAC2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1cc(F)c(C(F)(F)Oc2cc(F)c(OC(F)(F)F)c(F)c2)c(F)c1
InChIInChI=1S/C17H9F9O2/c1-2-3-8-4-10(18)14(11(19)5-8)16(22,23)27-9-6-12(20)15(13(21)7-9)28-17(24,25)26/h2-7H,1H3/b3-2+
InChIKeyHLEQYRFTDNQRDK-NSCUHMNNSA-N
MW416.24 g/mol
LogP6.30
Rot. Bonds5

About 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene

2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene (PubChem CID 89308321) has the molecular formula C17H9F9O2 and a molecular weight of 416.24 g/mol. Its IUPAC name is 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene
PubChem CID89308321
Molecular FormulaC17H9F9O2
Molecular Weight416.24 g/mol
Exact Mass416.05
IUPAC Name2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1cc(F)c(C(F)(F)Oc2cc(F)c(OC(F)(F)F)c(F)c2)c(F)c1
InChIInChI=1S/C17H9F9O2/c1-2-3-8-4-10(18)14(11(19)5-8)16(22,23)27-9-6-12(20)15(13(21)7-9)28-17(24,25)26/h2-7H,1H3/b3-2+
InChIKeyHLEQYRFTDNQRDK-NSCUHMNNSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.24
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene
CID 159611619
5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 58738373
2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene
CID 58738400
2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene
CID 58738459
4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]cyclohexane-1-carbaldehyde
CID 21057423
2-[[4-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]oxy-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-methylbenzene
CID 89285776
2-[3-chloro-4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-fluorophenyl]-5-[[2,6-difluoro-4-(2-fluoro-4-pent-3-enylphenyl)phenyl]-difluoromethoxy]-1,3-difluorobenzene
CID 123456005
2-[4-[[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-5-ethenyl-1,3-dioxane
CID 122577184
2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 90293769
2-[[3,5-difluoro-4-(3,3,3-trifluoroprop-1-enoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 123260273
1-[(Z)-prop-1-enyl]-4-(trifluoromethoxy)benzene
CID 153000469
2-[[3,5-difluoro-4-(3,3,3-trifluoroprop-1-enoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-pentylbenzene
CID 123841253

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene?
The IUPAC name of 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene (CID 89308321) is 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene is C/C=C/c1cc(F)c(C(F)(F)Oc2cc(F)c(OC(F)(F)F)c(F)c2)c(F)c1.
What is the InChIKey of 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene?
The InChIKey is HLEQYRFTDNQRDK-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H9F9O2/c1-2-3-8-4-10(18)14(11(19)5-8)16(22,23)27-9-6-12(20)15(13(21)7-9)28-17(24,25)26/h2-7H,1H3/b3-2+.
What are the key properties of 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene?
2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene has a molecular weight of 416.24 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 89308321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).