tert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate

C10H18FNO3 — CID 10751345

IUPACtert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)F
InChIInChI=1S/C10H18FNO3/c1-6(2)7(8(11)13)12-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,12,14)/t7-/m0/s1
InChIKeyLAFBMVMABCVEKS-ZETCQYMHSA-N
MW219.26 g/mol
LogP2.03
Rot. Bonds3

About tert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 10751345) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID10751345
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Nametert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)F
InChIInChI=1S/C10H18FNO3/c1-6(2)7(8(11)13)12-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,12,14)/t7-/m0/s1
InChIKeyLAFBMVMABCVEKS-ZETCQYMHSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate (CID 10751345) is tert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)F.
What is the InChIKey of tert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is LAFBMVMABCVEKS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-6(2)7(8(11)13)12-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,12,14)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 219.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 10751345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).