1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole

C19H14F5NO2 — CID 141296264

IUPAC1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole
SMILESFC(F)Oc1ccccc1COc1ccc(-n2ccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H14F5NO2/c20-18(21)27-17-4-2-1-3-13(17)12-26-16-7-5-15(6-8-16)25-10-9-14(11-25)19(22,23)24/h1-11,18H,12H2
InChIKeySGQBCJZLHQLKPV-UHFFFAOYSA-N
MW383.32 g/mol
LogP5.68
Rot. Bonds6

About 1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole

1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole (PubChem CID 141296264) has the molecular formula C19H14F5NO2 and a molecular weight of 383.32 g/mol. Its IUPAC name is 1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole
PubChem CID141296264
Molecular FormulaC19H14F5NO2
Molecular Weight383.32 g/mol
Exact Mass383.09
IUPAC Name1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole
SMILESFC(F)Oc1ccccc1COc1ccc(-n2ccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H14F5NO2/c20-18(21)27-17-4-2-1-3-13(17)12-26-16-7-5-15(6-8-16)25-10-9-14(11-25)19(22,23)24/h1-11,18H,12H2
InChIKeySGQBCJZLHQLKPV-UHFFFAOYSA-N
XLogP5.68
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.32
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole?
The IUPAC name of 1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole (CID 141296264) is 1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole.
What is the SMILES notation for 1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole?
The canonical SMILES for 1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole is FC(F)Oc1ccccc1COc1ccc(-n2ccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole?
The InChIKey is SGQBCJZLHQLKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5NO2/c20-18(21)27-17-4-2-1-3-13(17)12-26-16-7-5-15(6-8-16)25-10-9-14(11-25)19(22,23)24/h1-11,18H,12H2.
What are the key properties of 1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole?
1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole has a molecular weight of 383.32 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole is sourced from PubChem (CID 141296264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).