1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol

C15H9F8NO — CID 175532944

IUPAC1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol
SMILESOC1c2c(C(F)(F)F)cn(-c3ccc(F)c(C(F)F)c3)c2CC1(F)F
InChIInChI=1S/C15H9F8NO/c16-9-2-1-6(3-7(9)13(17)18)24-5-8(15(21,22)23)11-10(24)4-14(19,20)12(11)25/h1-3,5,12-13,25H,4H2
InChIKeyIECSKIPMCCHSIM-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.80
Rot. Bonds2

About 1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol

1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol (PubChem CID 175532944) has the molecular formula C15H9F8NO and a molecular weight of 371.23 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol
PubChem CID175532944
Molecular FormulaC15H9F8NO
Molecular Weight371.23 g/mol
Exact Mass371.06
IUPAC Name1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol
SMILESOC1c2c(C(F)(F)F)cn(-c3ccc(F)c(C(F)F)c3)c2CC1(F)F
InChIInChI=1S/C15H9F8NO/c16-9-2-1-6(3-7(9)13(17)18)24-5-8(15(21,22)23)11-10(24)4-14(19,20)12(11)25/h1-3,5,12-13,25H,4H2
InChIKeyIECSKIPMCCHSIM-UHFFFAOYSA-N
XLogP4.80
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol?
The IUPAC name of 1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol (CID 175532944) is 1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol.
What is the SMILES notation for 1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol?
The canonical SMILES for 1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol is OC1c2c(C(F)(F)F)cn(-c3ccc(F)c(C(F)F)c3)c2CC1(F)F.
What is the InChIKey of 1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol?
The InChIKey is IECSKIPMCCHSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F8NO/c16-9-2-1-6(3-7(9)13(17)18)24-5-8(15(21,22)23)11-10(24)4-14(19,20)12(11)25/h1-3,5,12-13,25H,4H2.
What are the key properties of 1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol?
1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol has a molecular weight of 371.23 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[b]pyrrol-4-ol is sourced from PubChem (CID 175532944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).