butyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate

C10H20FNO3 — CID 54083425

IUPACbutyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
SMILESCCCCOC(=O)N[C@H](CO)C(C)(C)F
InChIInChI=1S/C10H20FNO3/c1-4-5-6-15-9(14)12-8(7-13)10(2,3)11/h8,13H,4-7H2,1-3H3,(H,12,14)/t8-/m1/s1
InChIKeyMOSZCWNSNSNIEH-MRVPVSSYSA-N
MW221.27 g/mol
LogP1.62
Rot. Bonds6

About butyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate

butyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate (PubChem CID 54083425) has the molecular formula C10H20FNO3 and a molecular weight of 221.27 g/mol. Its IUPAC name is butyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
PubChem CID54083425
Molecular FormulaC10H20FNO3
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Namebutyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
SMILESCCCCOC(=O)N[C@H](CO)C(C)(C)F
InChIInChI=1S/C10H20FNO3/c1-4-5-6-15-9(14)12-8(7-13)10(2,3)11/h8,13H,4-7H2,1-3H3,(H,12,14)/t8-/m1/s1
InChIKeyMOSZCWNSNSNIEH-MRVPVSSYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate?
The IUPAC name of butyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate (CID 54083425) is butyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for butyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate?
The canonical SMILES for butyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate is CCCCOC(=O)N[C@H](CO)C(C)(C)F.
What is the InChIKey of butyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate?
The InChIKey is MOSZCWNSNSNIEH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20FNO3/c1-4-5-6-15-9(14)12-8(7-13)10(2,3)11/h8,13H,4-7H2,1-3H3,(H,12,14)/t8-/m1/s1.
What are the key properties of butyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate?
butyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate has a molecular weight of 221.27 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 54083425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).