(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide

C9H16F4N2O — CID 106291529

IUPAC(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C9H16F4N2O/c1-5(2)3-6(14)7(16)15-4-9(12,13)8(10)11/h5-6,8H,3-4,14H2,1-2H3,(H,15,16)/t6-/m0/s1
InChIKeyPVBHFYNDHVKIDX-LURJTMIESA-N
MW244.23 g/mol
LogP1.38
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide

(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide (PubChem CID 106291529) has the molecular formula C9H16F4N2O and a molecular weight of 244.23 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
PubChem CID106291529
Molecular FormulaC9H16F4N2O
Molecular Weight244.23 g/mol
Exact Mass244.12
IUPAC Name(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C9H16F4N2O/c1-5(2)3-6(14)7(16)15-4-9(12,13)8(10)11/h5-6,8H,3-4,14H2,1-2H3,(H,15,16)/t6-/m0/s1
InChIKeyPVBHFYNDHVKIDX-LURJTMIESA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291723
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
CID 106176696
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 104903471
(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
CID 104903660
2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
(2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide
CID 119769296
2-methyl-3-oxo-3-(2,2,3,3-tetrafluoropropylamino)propanoic acid
CID 106295621
2-amino-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739650
methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate
CID 113266912
(2R)-2-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292244

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide (CID 106291529) is (2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide is CC(C)C[C@H](N)C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
The InChIKey is PVBHFYNDHVKIDX-LURJTMIESA-N. The full InChI is InChI=1S/C9H16F4N2O/c1-5(2)3-6(14)7(16)15-4-9(12,13)8(10)11/h5-6,8H,3-4,14H2,1-2H3,(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide has a molecular weight of 244.23 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide is sourced from PubChem (CID 106291529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).