3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole

C18H13F4NO2 — CID 151277815

IUPAC3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole
SMILESFC(F)Oc1ccc(-c2c[nH]cc2-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C18H13F4NO2/c19-17(20)24-13-5-1-11(2-6-13)15-9-23-10-16(15)12-3-7-14(8-4-12)25-18(21)22/h1-10,17-18,23H
InChIKeyNXSLVWDWKJGUGQ-UHFFFAOYSA-N
MW351.30 g/mol
LogP5.55
Rot. Bonds6

About 3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole

3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole (PubChem CID 151277815) has the molecular formula C18H13F4NO2 and a molecular weight of 351.30 g/mol. Its IUPAC name is 3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole.

Molecular Properties

Compound Name3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole
PubChem CID151277815
Molecular FormulaC18H13F4NO2
Molecular Weight351.30 g/mol
Exact Mass351.09
IUPAC Name3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole
SMILESFC(F)Oc1ccc(-c2c[nH]cc2-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C18H13F4NO2/c19-17(20)24-13-5-1-11(2-6-13)15-9-23-10-16(15)12-3-7-14(8-4-12)25-18(21)22/h1-10,17-18,23H
InChIKeyNXSLVWDWKJGUGQ-UHFFFAOYSA-N
XLogP5.55
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.30
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 172516407
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CID 118812996
4-(difluoromethoxy)aniline
CID 737363
2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol
CID 59930214
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide
CID 71566346
3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole
CID 19586361
5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
CID 62225201
4-[4-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxylic acid
CID 166273929
2-chloro-1-[4-(difluoromethoxy)-3-[4-(difluoromethoxy)phenyl]phenyl]ethanone
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1-(difluoromethoxy)-4-(fluoromethoxy)benzene
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Frequently Asked Questions

What is the IUPAC name of 3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole?
The IUPAC name of 3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole (CID 151277815) is 3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole.
What is the SMILES notation for 3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole?
The canonical SMILES for 3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole is FC(F)Oc1ccc(-c2c[nH]cc2-c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole?
The InChIKey is NXSLVWDWKJGUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4NO2/c19-17(20)24-13-5-1-11(2-6-13)15-9-23-10-16(15)12-3-7-14(8-4-12)25-18(21)22/h1-10,17-18,23H.
What are the key properties of 3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole?
3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole has a molecular weight of 351.30 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole is sourced from PubChem (CID 151277815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).