tert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate

C11H22FNO3 — CID 11149038

IUPACtert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate
SMILESCC(C)(F)C[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22FNO3/c1-10(2,3)16-9(15)13-8(7-14)6-11(4,5)12/h8,14H,6-7H2,1-5H3,(H,13,15)/t8-/m0/s1
InChIKeyWVKNFDYVRRJKJN-QMMMGPOBSA-N
MW235.30 g/mol
LogP2.01
Rot. Bonds4

About tert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate

tert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate (PubChem CID 11149038) has the molecular formula C11H22FNO3 and a molecular weight of 235.30 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate
PubChem CID11149038
Molecular FormulaC11H22FNO3
Molecular Weight235.30 g/mol
Exact Mass235.16
IUPAC Nametert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate
SMILESCC(C)(F)C[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22FNO3/c1-10(2,3)16-9(15)13-8(7-14)6-11(4,5)12/h8,14H,6-7H2,1-5H3,(H,13,15)/t8-/m0/s1
InChIKeyWVKNFDYVRRJKJN-QMMMGPOBSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate (CID 11149038) is tert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate is CC(C)(F)C[C@@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate?
The InChIKey is WVKNFDYVRRJKJN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22FNO3/c1-10(2,3)16-9(15)13-8(7-14)6-11(4,5)12/h8,14H,6-7H2,1-5H3,(H,13,15)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate?
tert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate has a molecular weight of 235.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 11149038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).