butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate

C10H18F3NO2 — CID 151232274

IUPACbutyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate
SMILESCCCCOC(=O)C(C)(C)[C@@H](N)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-5-6-16-8(15)9(2,3)7(14)10(11,12)13/h7H,4-6,14H2,1-3H3/t7-/m1/s1
InChIKeyNONRXPPTYFFXPW-SSDOTTSWSA-N
MW241.25 g/mol
LogP2.25
Rot. Bonds5

About butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate

butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate (PubChem CID 151232274) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate.

Molecular Properties

Compound Namebutyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate
PubChem CID151232274
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Namebutyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate
SMILESCCCCOC(=O)C(C)(C)[C@@H](N)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-5-6-16-8(15)9(2,3)7(14)10(11,12)13/h7H,4-6,14H2,1-3H3/t7-/m1/s1
InChIKeyNONRXPPTYFFXPW-SSDOTTSWSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 3-amino-2,2-dimethylheptadecanoate
CID 88632153
butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79798085
butyl (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
CID 11117391
butyl 2,2,3,3-tetramethylbutanoate;ethane
CID 144536204
tributyl 2-amino-2-hydroxyethane-1,1,1-tricarboxylate
CID 141106294
butyl 2-iodo-2-methylpropanoate
CID 87865989
pentyl 2-methyl-2-sulfanylpropanoate
CID 87712895
decyl 2,2,3,3,3-pentafluoropropanoate
CID 536957
didecyl 3,12-didecyl-2,2,13,13-tetramethyltetradecanedioate
CID 140868250
dihexyl 2,2-difluoropropanedioate
CID 154336764
tricosyl 2,2,2-trifluoroacetate
CID 14574257
tetracosyl 2,2,2-trifluoroacetate
CID 91692950

Frequently Asked Questions

What is the IUPAC name of butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate?
The IUPAC name of butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate (CID 151232274) is butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate.
What is the SMILES notation for butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate?
The canonical SMILES for butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate is CCCCOC(=O)C(C)(C)[C@@H](N)C(F)(F)F.
What is the InChIKey of butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate?
The InChIKey is NONRXPPTYFFXPW-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-5-6-16-8(15)9(2,3)7(14)10(11,12)13/h7H,4-6,14H2,1-3H3/t7-/m1/s1.
What are the key properties of butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate?
butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate has a molecular weight of 241.25 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate is sourced from PubChem (CID 151232274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).