2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide

C11H19F3N2O — CID 106592666

IUPAC2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)C1CCCC(N)C1
InChIInChI=1S/C11H19F3N2O/c1-7(8-3-2-4-9(15)5-8)10(17)16-6-11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyNZUWUPPPTICBFA-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.82
Rot. Bonds3

About 2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide

2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106592666) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106592666
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)C1CCCC(N)C1
InChIInChI=1S/C11H19F3N2O/c1-7(8-3-2-4-9(15)5-8)10(17)16-6-11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyNZUWUPPPTICBFA-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 42936327
3-[(3,3-Difluoro-2,2-dimethylpentyl)amino]cyclohexane-1-carboxamide
CID 132396558
N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide
CID 54490474
3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide
CID 58331669
N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 58356090
3,3,3-trifluoro-N-(4-propan-2-ylcyclohexyl)propanamide
CID 68067752
4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 68084954
N-[4-[(2R)-butan-2-yl]cyclohexyl]-4,4,4-trifluorobutanamide
CID 68091562
4,4,4-trifluoro-N-(4-propan-2-ylcyclohexyl)butanamide
CID 68091928
4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 81932076
4,4-difluoro-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 81932123
2,2,2-trifluoro-N-(1-(4-oxocyclohexyl)propyl)acetamide
CID 86660468

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 106592666) is 2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is NZUWUPPPTICBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-7(8-3-2-4-9(15)5-8)10(17)16-6-11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17).
What are the key properties of 2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 252.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106592666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).