2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid

C11H13F6NO3 — CID 103309204

IUPAC2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C(C(F)(F)F)C(F)(F)F)CCCC1
InChIInChI=1S/C11H13F6NO3/c12-10(13,14)7(11(15,16)17)8(21)18-9(5-6(19)20)3-1-2-4-9/h7H,1-5H2,(H,18,21)(H,19,20)
InChIKeyLIMQVIQDFZDPAK-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.63
Rot. Bonds4

About 2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid

2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid (PubChem CID 103309204) has the molecular formula C11H13F6NO3 and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid
PubChem CID103309204
Molecular FormulaC11H13F6NO3
Molecular Weight321.22 g/mol
Exact Mass321.08
IUPAC Name2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C(C(F)(F)F)C(F)(F)F)CCCC1
InChIInChI=1S/C11H13F6NO3/c12-10(13,14)7(11(15,16)17)8(21)18-9(5-6(19)20)3-1-2-4-9/h7H,1-5H2,(H,18,21)(H,19,20)
InChIKeyLIMQVIQDFZDPAK-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid (CID 103309204) is 2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)C(C(F)(F)F)C(F)(F)F)CCCC1.
What is the InChIKey of 2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid?
The InChIKey is LIMQVIQDFZDPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F6NO3/c12-10(13,14)7(11(15,16)17)8(21)18-9(5-6(19)20)3-1-2-4-9/h7H,1-5H2,(H,18,21)(H,19,20).
What are the key properties of 2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid?
2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid has a molecular weight of 321.22 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 103309204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).