3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid

C11H16F3NO4 — CID 103550454

IUPAC3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)6-15(3-4-16)9(17)7-1-2-8(5-7)10(18)19/h7-8,16H,1-6H2,(H,18,19)
InChIKeyLTBUAKUIFGUOES-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.87
Rot. Bonds5

About 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550454) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550454
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)6-15(3-4-16)9(17)7-1-2-8(5-7)10(18)19/h7-8,16H,1-6H2,(H,18,19)
InChIKeyLTBUAKUIFGUOES-UHFFFAOYSA-N
XLogP0.87
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550454) is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N(CCO)CC(F)(F)F)C1.
What is the InChIKey of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is LTBUAKUIFGUOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c12-11(13,14)6-15(3-4-16)9(17)7-1-2-8(5-7)10(18)19/h7-8,16H,1-6H2,(H,18,19).
What are the key properties of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).