methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate

C8H14FNO3 — CID 118376940

IUPACmethyl N-(6-fluoro-2-oxohexan-3-yl)carbamate
SMILESCOC(=O)NC(CCCF)C(C)=O
InChIInChI=1S/C8H14FNO3/c1-6(11)7(4-3-5-9)10-8(12)13-2/h7H,3-5H2,1-2H3,(H,10,12)
InChIKeyZRRZEUPTVLZUSO-UHFFFAOYSA-N
MW191.20 g/mol
LogP1.05
Rot. Bonds5

About methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate

methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate (PubChem CID 118376940) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-fluoro-2-oxohexan-3-yl)carbamate
PubChem CID118376940
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Namemethyl N-(6-fluoro-2-oxohexan-3-yl)carbamate
SMILESCOC(=O)NC(CCCF)C(C)=O
InChIInChI=1S/C8H14FNO3/c1-6(11)7(4-3-5-9)10-8(12)13-2/h7H,3-5H2,1-2H3,(H,10,12)
InChIKeyZRRZEUPTVLZUSO-UHFFFAOYSA-N
XLogP1.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate?
The IUPAC name of methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate (CID 118376940) is methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate.
What is the SMILES notation for methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate?
The canonical SMILES for methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate is COC(=O)NC(CCCF)C(C)=O.
What is the InChIKey of methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate?
The InChIKey is ZRRZEUPTVLZUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-6(11)7(4-3-5-9)10-8(12)13-2/h7H,3-5H2,1-2H3,(H,10,12).
What are the key properties of methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate?
methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate has a molecular weight of 191.20 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate is sourced from PubChem (CID 118376940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).