1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone

C14H18FNO2 — CID 82739978

IUPAC1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)C1CCOC1C
InChIInChI=1S/C14H18FNO2/c1-9(17)14-11(15)5-4-6-13(14)16(3)12-7-8-18-10(12)2/h4-6,10,12H,7-8H2,1-3H3
InChIKeyQOORQJHKQZCDNB-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.64
Rot. Bonds3

About 1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone

1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone (PubChem CID 82739978) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone
PubChem CID82739978
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)C1CCOC1C
InChIInChI=1S/C14H18FNO2/c1-9(17)14-11(15)5-4-6-13(14)16(3)12-7-8-18-10(12)2/h4-6,10,12H,7-8H2,1-3H3
InChIKeyQOORQJHKQZCDNB-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone (CID 82739978) is 1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone is CC(=O)c1c(F)cccc1N(C)C1CCOC1C.
What is the InChIKey of 1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone?
The InChIKey is QOORQJHKQZCDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9(17)14-11(15)5-4-6-13(14)16(3)12-7-8-18-10(12)2/h4-6,10,12H,7-8H2,1-3H3.
What are the key properties of 1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone?
1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone has a molecular weight of 251.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone is sourced from PubChem (CID 82739978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).