N-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide

C14H19F3N2O — CID 166440185

IUPACN-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide
SMILESCC(=O)N[C@H](CC(C)(C)C)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-9(20)19-11(8-13(2,3)4)10-5-6-18-12(7-10)14(15,16)17/h5-7,11H,8H2,1-4H3,(H,19,20)/t11-/m1/s1
InChIKeyZYRNFFYWKYEPGM-LLVKDONJSA-N
MW288.31 g/mol
LogP3.71
Rot. Bonds3

About N-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide

N-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide (PubChem CID 166440185) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide
PubChem CID166440185
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide
SMILESCC(=O)N[C@H](CC(C)(C)C)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-9(20)19-11(8-13(2,3)4)10-5-6-18-12(7-10)14(15,16)17/h5-7,11H,8H2,1-4H3,(H,19,20)/t11-/m1/s1
InChIKeyZYRNFFYWKYEPGM-LLVKDONJSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide?
The IUPAC name of N-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide (CID 166440185) is N-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide.
What is the SMILES notation for N-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide?
The canonical SMILES for N-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide is CC(=O)N[C@H](CC(C)(C)C)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide?
The InChIKey is ZYRNFFYWKYEPGM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(20)19-11(8-13(2,3)4)10-5-6-18-12(7-10)14(15,16)17/h5-7,11H,8H2,1-4H3,(H,19,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide?
N-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide has a molecular weight of 288.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3,3-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]butyl]acetamide is sourced from PubChem (CID 166440185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).