(4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate

C9H18FNO3 — CID 175189297

IUPAC(4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(CO)CCF
InChIInChI=1S/C9H18FNO3/c1-9(2,3)11-8(13)14-7(6-12)4-5-10/h7,12H,4-6H2,1-3H3,(H,11,13)
InChIKeyWHDSEOWLAHHECH-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.23
Rot. Bonds4

About (4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate

(4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate (PubChem CID 175189297) has the molecular formula C9H18FNO3 and a molecular weight of 207.24 g/mol. Its IUPAC name is (4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate
PubChem CID175189297
Molecular FormulaC9H18FNO3
Molecular Weight207.24 g/mol
Exact Mass207.13
IUPAC Name(4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(CO)CCF
InChIInChI=1S/C9H18FNO3/c1-9(2,3)11-8(13)14-7(6-12)4-5-10/h7,12H,4-6H2,1-3H3,(H,11,13)
InChIKeyWHDSEOWLAHHECH-UHFFFAOYSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate?
The IUPAC name of (4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate (CID 175189297) is (4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate.
What is the SMILES notation for (4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate?
The canonical SMILES for (4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)OC(CO)CCF.
What is the InChIKey of (4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate?
The InChIKey is WHDSEOWLAHHECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO3/c1-9(2,3)11-8(13)14-7(6-12)4-5-10/h7,12H,4-6H2,1-3H3,(H,11,13).
What are the key properties of (4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate?
(4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate has a molecular weight of 207.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate is sourced from PubChem (CID 175189297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).