N-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide

C10H18FNO2 — CID 126562564

IUPACN-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide
SMILESCC(=O)NC(CF)(CC(C)C)C(C)=O
InChIInChI=1S/C10H18FNO2/c1-7(2)5-10(6-11,8(3)13)12-9(4)14/h7H,5-6H2,1-4H3,(H,12,14)
InChIKeyQABRDADZPWQKOR-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.47
Rot. Bonds5

About N-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide

N-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide (PubChem CID 126562564) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is N-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide
PubChem CID126562564
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC NameN-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide
SMILESCC(=O)NC(CF)(CC(C)C)C(C)=O
InChIInChI=1S/C10H18FNO2/c1-7(2)5-10(6-11,8(3)13)12-9(4)14/h7H,5-6H2,1-4H3,(H,12,14)
InChIKeyQABRDADZPWQKOR-UHFFFAOYSA-N
XLogP1.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide?
The IUPAC name of N-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide (CID 126562564) is N-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide.
What is the SMILES notation for N-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide?
The canonical SMILES for N-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide is CC(=O)NC(CF)(CC(C)C)C(C)=O.
What is the InChIKey of N-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide?
The InChIKey is QABRDADZPWQKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-7(2)5-10(6-11,8(3)13)12-9(4)14/h7H,5-6H2,1-4H3,(H,12,14).
What are the key properties of N-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide?
N-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide has a molecular weight of 203.26 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(fluoromethyl)-5-methyl-2-oxohexan-3-yl]acetamide is sourced from PubChem (CID 126562564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).