2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

C15H11F6NO3 — CID 21084680

IUPAC2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc(C(F)(F)F)cc2C(F)(F)F)CCC1
InChIInChI=1S/C15H11F6NO3/c16-14(17,18)7-4-5-11(10(6-7)15(19,20)21)22-12(23)8-2-1-3-9(8)13(24)25/h4-6H,1-3H2,(H,22,23)(H,24,25)
InChIKeyUWQMGCHSOGHOHX-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.23
Rot. Bonds3

About 2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 21084680) has the molecular formula C15H11F6NO3 and a molecular weight of 367.25 g/mol. Its IUPAC name is 2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID21084680
Molecular FormulaC15H11F6NO3
Molecular Weight367.25 g/mol
Exact Mass367.06
IUPAC Name2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc(C(F)(F)F)cc2C(F)(F)F)CCC1
InChIInChI=1S/C15H11F6NO3/c16-14(17,18)7-4-5-11(10(6-7)15(19,20)21)22-12(23)8-2-1-3-9(8)13(24)25/h4-6H,1-3H2,(H,22,23)(H,24,25)
InChIKeyUWQMGCHSOGHOHX-UHFFFAOYSA-N
XLogP4.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (CID 21084680) is 2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is O=C(O)C1=C(C(=O)Nc2ccc(C(F)(F)F)cc2C(F)(F)F)CCC1.
What is the InChIKey of 2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is UWQMGCHSOGHOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO3/c16-14(17,18)7-4-5-11(10(6-7)15(19,20)21)22-12(23)8-2-1-3-9(8)13(24)25/h4-6H,1-3H2,(H,22,23)(H,24,25).
What are the key properties of 2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 367.25 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 21084680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).