(2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide

C11H19F3N2O2 — CID 54991195

IUPAC(2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESC[C@@H](N)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-7(15)10(17)16-8-3-2-4-9(5-8)18-6-11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)/t7-,8?,9?/m1/s1
InChIKeyMHHZXLAQBXHWSU-AFPNSQJFSA-N
MW268.28 g/mol
LogP1.34
Rot. Bonds4

About (2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide

(2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (PubChem CID 54991195) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
PubChem CID54991195
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name(2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESC[C@@H](N)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-7(15)10(17)16-8-3-2-4-9(5-8)18-6-11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)/t7-,8?,9?/m1/s1
InChIKeyMHHZXLAQBXHWSU-AFPNSQJFSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (CID 54991195) is (2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is C[C@@H](N)C(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of (2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The InChIKey is MHHZXLAQBXHWSU-AFPNSQJFSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-7(15)10(17)16-8-3-2-4-9(5-8)18-6-11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)/t7-,8?,9?/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
(2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide has a molecular weight of 268.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is sourced from PubChem (CID 54991195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).