1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid

C10H16F3NO2 — CID 114998242

IUPAC1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C1(C(=O)O)CCCC1
InChIInChI=1S/C10H16F3NO2/c1-2-14(7-10(11,12)13)9(8(15)16)5-3-4-6-9/h2-7H2,1H3,(H,15,16)
InChIKeyQKNVSMLMSURHOZ-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.27
Rot. Bonds4

About 1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid

1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 114998242) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid
PubChem CID114998242
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C1(C(=O)O)CCCC1
InChIInChI=1S/C10H16F3NO2/c1-2-14(7-10(11,12)13)9(8(15)16)5-3-4-6-9/h2-7H2,1H3,(H,15,16)
InChIKeyQKNVSMLMSURHOZ-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid (CID 114998242) is 1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid is CCN(CC(F)(F)F)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is QKNVSMLMSURHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-14(7-10(11,12)13)9(8(15)16)5-3-4-6-9/h2-7H2,1H3,(H,15,16).
What are the key properties of 1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid?
1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 239.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114998242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).