(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one

C10H15F3N2O — CID 104930312

IUPAC(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
SMILESCC[C@@H](N)C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c1-2-8(14)9(16)15-5-3-7(4-6-15)10(11,12)13/h3,8H,2,4-6,14H2,1H3/t8-/m1/s1
InChIKeyDZHNKXVNPBCVMH-MRVPVSSYSA-N
MW236.24 g/mol
LogP1.44
Rot. Bonds2

About (2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one

(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one (PubChem CID 104930312) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
PubChem CID104930312
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
SMILESCC[C@@H](N)C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c1-2-8(14)9(16)15-5-3-7(4-6-15)10(11,12)13/h3,8H,2,4-6,14H2,1H3/t8-/m1/s1
InChIKeyDZHNKXVNPBCVMH-MRVPVSSYSA-N
XLogP1.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one (CID 104930312) is (2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one is CC[C@@H](N)C(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
The InChIKey is DZHNKXVNPBCVMH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-8(14)9(16)15-5-3-7(4-6-15)10(11,12)13/h3,8H,2,4-6,14H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one has a molecular weight of 236.24 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one is sourced from PubChem (CID 104930312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).