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

C12H21F3N2O2 — CID 43698431

IUPAC4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
SMILESNCCCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)8-19-10-4-1-3-9(7-10)17-11(18)5-2-6-16/h9-10H,1-8,16H2,(H,17,18)
InChIKeyKCOXRGCKICDVHV-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.73
Rot. Bonds6

About 4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide

4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide (PubChem CID 43698431) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
PubChem CID43698431
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
SMILESNCCCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)8-19-10-4-1-3-9(7-10)17-11(18)5-2-6-16/h9-10H,1-8,16H2,(H,17,18)
InChIKeyKCOXRGCKICDVHV-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43696429
2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 63681193
2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate
CID 65173974
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698425
2-amino-2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 60865754
2-methyl-2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 62836042
(2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
CID 61155302
4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride
CID 119889114
7-amino-N-(3-methylcyclohexyl)heptanamide
CID 43317968
4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119319062
5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide
CID 78982699
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide
CID 82905448

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The IUPAC name of 4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide (CID 43698431) is 4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide is NCCCC(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The InChIKey is KCOXRGCKICDVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)8-19-10-4-1-3-9(7-10)17-11(18)5-2-6-16/h9-10H,1-8,16H2,(H,17,18).
What are the key properties of 4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide has a molecular weight of 282.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide is sourced from PubChem (CID 43698431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).