(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide

C12H15F3N2O — CID 107145817

IUPAC(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O/c1-2-3-4-10(16)12(18)17-11-8(14)5-7(13)6-9(11)15/h5-6,10H,2-4,16H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyLPWAPYZRRDWOTN-JTQLQIEISA-N
MW260.26 g/mol
LogP2.56
Rot. Bonds5

About (2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide

(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide (PubChem CID 107145817) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide
PubChem CID107145817
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O/c1-2-3-4-10(16)12(18)17-11-8(14)5-7(13)6-9(11)15/h5-6,10H,2-4,16H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyLPWAPYZRRDWOTN-JTQLQIEISA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide
CID 107146373
2-amino-N-(2,6-difluorophenyl)hexanamide
CID 54928730
(2S)-2-amino-N-(3-fluoro-5-methylphenyl)hexanamide
CID 103950769
(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide
CID 104903642
(2S)-2-amino-N-(2-fluoro-6-methylphenyl)hexanamide
CID 107146650
(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
CID 103830837
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
CID 107143829
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281
(2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide
CID 94872912
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285
(2S)-2-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 103830895
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide (CID 107145817) is (2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1c(F)cc(F)cc1F.
What is the InChIKey of (2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide?
The InChIKey is LPWAPYZRRDWOTN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-3-4-10(16)12(18)17-11-8(14)5-7(13)6-9(11)15/h5-6,10H,2-4,16H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide?
(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide has a molecular weight of 260.26 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide is sourced from PubChem (CID 107145817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).