(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone

C12H16FNO2 — CID 145081692

IUPAC(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone
SMILESCC1=CC(C(=O)N2CCOCC2)=C(F)CC1
InChIInChI=1S/C12H16FNO2/c1-9-2-3-11(13)10(8-9)12(15)14-4-6-16-7-5-14/h8H,2-7H2,1H3
InChIKeyALSBYARAOXMXDT-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.81
Rot. Bonds1

About (2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone

(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone (PubChem CID 145081692) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone
PubChem CID145081692
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone
SMILESCC1=CC(C(=O)N2CCOCC2)=C(F)CC1
InChIInChI=1S/C12H16FNO2/c1-9-2-3-11(13)10(8-9)12(15)14-4-6-16-7-5-14/h8H,2-7H2,1H3
InChIKeyALSBYARAOXMXDT-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone (CID 145081692) is (2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone is CC1=CC(C(=O)N2CCOCC2)=C(F)CC1.
What is the InChIKey of (2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone?
The InChIKey is ALSBYARAOXMXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9-2-3-11(13)10(8-9)12(15)14-4-6-16-7-5-14/h8H,2-7H2,1H3.
What are the key properties of (2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone?
(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone has a molecular weight of 225.26 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 145081692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).