5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene

C14H4ClF9O2 — CID 58738373

IUPAC5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene
SMILESFc1cc(OC(F)(F)c2c(F)cc(Cl)cc2F)cc(F)c1OC(F)(F)F
InChIInChI=1S/C14H4ClF9O2/c15-5-1-7(16)11(8(17)2-5)13(20,21)25-6-3-9(18)12(10(19)4-6)26-14(22,23)24/h1-4H
InChIKeyDNALMMBUPLTPKK-UHFFFAOYSA-N
MW410.62 g/mol
LogP5.92
Rot. Bonds4

About 5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene

5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene (PubChem CID 58738373) has the molecular formula C14H4ClF9O2 and a molecular weight of 410.62 g/mol. Its IUPAC name is 5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene
PubChem CID58738373
Molecular FormulaC14H4ClF9O2
Molecular Weight410.62 g/mol
Exact Mass409.98
IUPAC Name5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene
SMILESFc1cc(OC(F)(F)c2c(F)cc(Cl)cc2F)cc(F)c1OC(F)(F)F
InChIInChI=1S/C14H4ClF9O2/c15-5-1-7(16)11(8(17)2-5)13(20,21)25-6-3-9(18)12(10(19)4-6)26-14(22,23)24/h1-4H
InChIKeyDNALMMBUPLTPKK-UHFFFAOYSA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.62
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene?
The IUPAC name of 5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene (CID 58738373) is 5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene.
What is the SMILES notation for 5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene?
The canonical SMILES for 5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene is Fc1cc(OC(F)(F)c2c(F)cc(Cl)cc2F)cc(F)c1OC(F)(F)F.
What is the InChIKey of 5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene?
The InChIKey is DNALMMBUPLTPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4ClF9O2/c15-5-1-7(16)11(8(17)2-5)13(20,21)25-6-3-9(18)12(10(19)4-6)26-14(22,23)24/h1-4H.
What are the key properties of 5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene?
5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene has a molecular weight of 410.62 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene is sourced from PubChem (CID 58738373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).