tert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid

C11H14FNO3 — CID 66968810

IUPACtert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccc(O)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-11(2,3)13(10(15)16)7-4-5-9(14)8(12)6-7/h4-6,14H,1-3H3,(H,15,16)
InChIKeyHBFXRBIMWOWGEB-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.81
Rot. Bonds1

About tert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid

tert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid (PubChem CID 66968810) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is tert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid
PubChem CID66968810
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Nametert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccc(O)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-11(2,3)13(10(15)16)7-4-5-9(14)8(12)6-7/h4-6,14H,1-3H3,(H,15,16)
InChIKeyHBFXRBIMWOWGEB-UHFFFAOYSA-N
XLogP2.81
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid?
The IUPAC name of tert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid (CID 66968810) is tert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid.
What is the SMILES notation for tert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid?
The canonical SMILES for tert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid is CC(C)(C)N(C(=O)O)c1ccc(O)c(F)c1.
What is the InChIKey of tert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid?
The InChIKey is HBFXRBIMWOWGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-11(2,3)13(10(15)16)7-4-5-9(14)8(12)6-7/h4-6,14H,1-3H3,(H,15,16).
What are the key properties of tert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid?
tert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid has a molecular weight of 227.23 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid is sourced from PubChem (CID 66968810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).