2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid

C11H13F6NO3 — CID 103309218

IUPAC2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6NO3/c12-10(13,14)7(11(15,16)17)8(19)18-4-5-2-1-3-6(5)9(20)21/h5-7H,1-4H2,(H,18,19)(H,20,21)
InChIKeyPICBMXLQZQEQFH-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.34
Rot. Bonds4

About 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid

2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 103309218) has the molecular formula C11H13F6NO3 and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID103309218
Molecular FormulaC11H13F6NO3
Molecular Weight321.22 g/mol
Exact Mass321.08
IUPAC Name2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6NO3/c12-10(13,14)7(11(15,16)17)8(19)18-4-5-2-1-3-6(5)9(20)21/h5-7H,1-4H2,(H,18,19)(H,20,21)
InChIKeyPICBMXLQZQEQFH-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 103309218) is 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1CNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is PICBMXLQZQEQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F6NO3/c12-10(13,14)7(11(15,16)17)8(19)18-4-5-2-1-3-6(5)9(20)21/h5-7H,1-4H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 321.22 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103309218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).