[3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone

C25H18ClF3O2 — CID 58025656

IUPAC[3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)C1C=C(c2ccc(Cl)cc2)CC1c1ccccc1OC(F)F
InChIInChI=1S/C25H18ClF3O2/c26-18-10-8-15(9-11-18)17-13-21(20-6-1-2-7-23(20)31-25(28)29)22(14-17)24(30)16-4-3-5-19(27)12-16/h1-12,14,21-22,25H,13H2
InChIKeyFNUBTGRHIGHXDV-UHFFFAOYSA-N
MW442.86 g/mol
LogP7.15
Rot. Bonds6

About [3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone

[3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone (PubChem CID 58025656) has the molecular formula C25H18ClF3O2 and a molecular weight of 442.86 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone
PubChem CID58025656
Molecular FormulaC25H18ClF3O2
Molecular Weight442.86 g/mol
Exact Mass442.09
IUPAC Name[3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)C1C=C(c2ccc(Cl)cc2)CC1c1ccccc1OC(F)F
InChIInChI=1S/C25H18ClF3O2/c26-18-10-8-15(9-11-18)17-13-21(20-6-1-2-7-23(20)31-25(28)29)22(14-17)24(30)16-4-3-5-19(27)12-16/h1-12,14,21-22,25H,13H2
InChIKeyFNUBTGRHIGHXDV-UHFFFAOYSA-N
XLogP7.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.86
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone (CID 58025656) is [3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)C1C=C(c2ccc(Cl)cc2)CC1c1ccccc1OC(F)F.
What is the InChIKey of [3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is FNUBTGRHIGHXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3O2/c26-18-10-8-15(9-11-18)17-13-21(20-6-1-2-7-23(20)31-25(28)29)22(14-17)24(30)16-4-3-5-19(27)12-16/h1-12,14,21-22,25H,13H2.
What are the key properties of [3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone?
[3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 442.86 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]cyclopent-2-en-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 58025656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).