1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid

C12H20F3NO2 — CID 62271395

IUPAC1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H20F3NO2/c1-9(2)16(8-12(13,14)15)7-11(10(17)18)5-3-4-6-11/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyLXSRALIQTBOGIR-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.90
Rot. Bonds5

About 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 62271395) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID62271395
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H20F3NO2/c1-9(2)16(8-12(13,14)15)7-11(10(17)18)5-3-4-6-11/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyLXSRALIQTBOGIR-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 62271395) is 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid is CC(C)N(CC(F)(F)F)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is LXSRALIQTBOGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-9(2)16(8-12(13,14)15)7-11(10(17)18)5-3-4-6-11/h9H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62271395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).