tert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid

C11H22FNO3 — CID 86695941

IUPACtert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid
SMILESCC(C)(F)CC(CO)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22FNO3/c1-10(2,3)13(9(15)16)8(7-14)6-11(4,5)12/h8,14H,6-7H2,1-5H3,(H,15,16)
InChIKeyFCZYSVARDPJULQ-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.26
Rot. Bonds4

About tert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid

tert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid (PubChem CID 86695941) has the molecular formula C11H22FNO3 and a molecular weight of 235.30 g/mol. Its IUPAC name is tert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid
PubChem CID86695941
Molecular FormulaC11H22FNO3
Molecular Weight235.30 g/mol
Exact Mass235.16
IUPAC Nametert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid
SMILESCC(C)(F)CC(CO)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22FNO3/c1-10(2,3)13(9(15)16)8(7-14)6-11(4,5)12/h8,14H,6-7H2,1-5H3,(H,15,16)
InChIKeyFCZYSVARDPJULQ-UHFFFAOYSA-N
XLogP2.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid?
The IUPAC name of tert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid (CID 86695941) is tert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid?
The canonical SMILES for tert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid is CC(C)(F)CC(CO)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid?
The InChIKey is FCZYSVARDPJULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO3/c1-10(2,3)13(9(15)16)8(7-14)6-11(4,5)12/h8,14H,6-7H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid?
tert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid has a molecular weight of 235.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid is sourced from PubChem (CID 86695941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).