(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide

C12H14F4N2O — CID 107641656

IUPAC(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H14F4N2O/c1-12(2,3)10(17)11(19)18-9-7(15)5(13)4-6(14)8(9)16/h4,10H,17H2,1-3H3,(H,18,19)/t10-/m0/s1
InChIKeyAHYOJYFJJHJQFO-JTQLQIEISA-N
MW278.25 g/mol
LogP2.55
Rot. Bonds2

About (2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide (PubChem CID 107641656) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
PubChem CID107641656
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H14F4N2O/c1-12(2,3)10(17)11(19)18-9-7(15)5(13)4-6(14)8(9)16/h4,10H,17H2,1-3H3,(H,18,19)/t10-/m0/s1
InChIKeyAHYOJYFJJHJQFO-JTQLQIEISA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
CID 76892574
(2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide
CID 103928376
2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107646145
(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide
CID 107641670
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide
CID 61155996
2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 76892746
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813
(2S)-2-amino-N-(2,4-difluoro-5-nitrophenyl)-3,3-dimethylbutanamide
CID 61178965
(2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide
CID 119798894
(2S)-2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 119812870
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)-3,3-dimethylbutanamide
CID 61178407
2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide
CID 107599700

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide (CID 107641656) is (2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide is CC(C)(C)[C@@H](N)C(=O)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide?
The InChIKey is AHYOJYFJJHJQFO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-12(2,3)10(17)11(19)18-9-7(15)5(13)4-6(14)8(9)16/h4,10H,17H2,1-3H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide has a molecular weight of 278.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide is sourced from PubChem (CID 107641656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).