1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid

C12H20F3NO3 — CID 79587761

IUPAC1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCOC(C)C(F)(F)F
InChIInChI=1S/C12H20F3NO3/c1-8(12(13,14)15)19-7-5-9-4-3-6-11(9,16-2)10(17)18/h8-9,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyIYEJURABDGFVNQ-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.19
Rot. Bonds6

About 1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid

1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79587761) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79587761
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCOC(C)C(F)(F)F
InChIInChI=1S/C12H20F3NO3/c1-8(12(13,14)15)19-7-5-9-4-3-6-11(9,16-2)10(17)18/h8-9,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyIYEJURABDGFVNQ-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid (CID 79587761) is 1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCCC1CCOC(C)C(F)(F)F.
What is the InChIKey of 1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is IYEJURABDGFVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-8(12(13,14)15)19-7-5-9-4-3-6-11(9,16-2)10(17)18/h8-9,16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid?
1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79587761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).