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

C11H19F3N2O2 — CID 43698425

IUPAC2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESCC(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)
InChIKeyMHHZXLAQBXHWSU-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.34
Rot. Bonds4

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

2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (PubChem CID 43698425) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
PubChem CID43698425
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESCC(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)
InChIKeyMHHZXLAQBXHWSU-UHFFFAOYSA-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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Related Compounds

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 43698410
(2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 61155301
(2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 90063146
(2S)-1-iodo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]azetidine-2-carboxamide
CID 90063155
N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide
CID 134388649
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide
CID 43698414
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 43698417
2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 43698418
6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide
CID 43698419
3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698422
2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
CID 43698430
4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 43698431

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The IUPAC name of 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (CID 43698425) is 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.
What is the SMILES notation for 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The canonical SMILES for 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is CC(N)C(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The InChIKey is MHHZXLAQBXHWSU-UHFFFAOYSA-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).
What are the key properties of 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
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 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is sourced from PubChem (CID 43698425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).