N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide

C9H15F3N2O — CID 93451955

IUPACN-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)5-8(15)14-7-4-2-1-3-6(7)13/h6-7H,1-5,13H2,(H,14,15)/t6-,7-/m1/s1
InChIKeyJAHBZBQROKIQJT-RNFRBKRXSA-N
MW224.23 g/mol
LogP1.32
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide

N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide (PubChem CID 93451955) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide
PubChem CID93451955
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)5-8(15)14-7-4-2-1-3-6(7)13/h6-7H,1-5,13H2,(H,14,15)/t6-,7-/m1/s1
InChIKeyJAHBZBQROKIQJT-RNFRBKRXSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-aminocyclohexyl)propanamide
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N-(2-aminocyclohexyl)-2-(methylamino)acetamide
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N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide
CID 93452012
N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide
CID 94547428
N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310467
N-(2-aminocyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide (CID 93451955) is N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide is N[C@@H]1CCCC[C@H]1NC(=O)CC(F)(F)F.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide?
The InChIKey is JAHBZBQROKIQJT-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)5-8(15)14-7-4-2-1-3-6(7)13/h6-7H,1-5,13H2,(H,14,15)/t6-,7-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide?
N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide has a molecular weight of 224.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 93451955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).