tert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid

C10H20FNO3 — CID 118206372

IUPACtert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid
SMILESCC(C)(O)C(F)CN(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H20FNO3/c1-9(2,3)12(8(13)14)6-7(11)10(4,5)15/h7,15H,6H2,1-5H3,(H,13,14)
InChIKeyKAMWLMSTTUBESZ-UHFFFAOYSA-N
MW221.27 g/mol
LogP1.87
Rot. Bonds3

About tert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid

tert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid (PubChem CID 118206372) has the molecular formula C10H20FNO3 and a molecular weight of 221.27 g/mol. Its IUPAC name is tert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid
PubChem CID118206372
Molecular FormulaC10H20FNO3
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Nametert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid
SMILESCC(C)(O)C(F)CN(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H20FNO3/c1-9(2,3)12(8(13)14)6-7(11)10(4,5)15/h7,15H,6H2,1-5H3,(H,13,14)
InChIKeyKAMWLMSTTUBESZ-UHFFFAOYSA-N
XLogP1.87
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid?
The IUPAC name of tert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid (CID 118206372) is tert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid.
What is the SMILES notation for tert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid?
The canonical SMILES for tert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid is CC(C)(O)C(F)CN(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid?
The InChIKey is KAMWLMSTTUBESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO3/c1-9(2,3)12(8(13)14)6-7(11)10(4,5)15/h7,15H,6H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid?
tert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid has a molecular weight of 221.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-fluoro-3-hydroxy-3-methylbutyl)carbamic acid is sourced from PubChem (CID 118206372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).