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

C12H21F3N2O2 — CID 43698437

IUPAC2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
SMILESCCC(N)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-2-10(16)11(18)17-8-4-3-5-9(6-8)19-7-12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyHDXQLWPFMJUWDD-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.73
Rot. Bonds5

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

2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide (PubChem CID 43698437) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
PubChem CID43698437
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
SMILESCCC(N)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-2-10(16)11(18)17-8-4-3-5-9(6-8)19-7-12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyHDXQLWPFMJUWDD-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The IUPAC name of 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide (CID 43698437) is 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide.
What is the SMILES notation for 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The canonical SMILES for 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide is CCC(N)C(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The InChIKey is HDXQLWPFMJUWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-10(16)11(18)17-8-4-3-5-9(6-8)19-7-12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide has a molecular weight of 282.31 g/mol, XLogP of 1.73, 5 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]butanamide is sourced from PubChem (CID 43698437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).