(4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone

C11H14F2N2O2 — CID 163509670

IUPAC(4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone
SMILESNC1C(F)=CC(C(=O)N2CCOCC2)=CC1F
InChIInChI=1S/C11H14F2N2O2/c12-8-5-7(6-9(13)10(8)14)11(16)15-1-3-17-4-2-15/h5-6,8,10H,1-4,14H2
InChIKeyDBPXOXUINZROTJ-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.30
Rot. Bonds1

About (4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone

(4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone (PubChem CID 163509670) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is (4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone
PubChem CID163509670
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name(4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone
SMILESNC1C(F)=CC(C(=O)N2CCOCC2)=CC1F
InChIInChI=1S/C11H14F2N2O2/c12-8-5-7(6-9(13)10(8)14)11(16)15-1-3-17-4-2-15/h5-6,8,10H,1-4,14H2
InChIKeyDBPXOXUINZROTJ-UHFFFAOYSA-N
XLogP0.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone (CID 163509670) is (4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone is NC1C(F)=CC(C(=O)N2CCOCC2)=CC1F.
What is the InChIKey of (4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone?
The InChIKey is DBPXOXUINZROTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-8-5-7(6-9(13)10(8)14)11(16)15-1-3-17-4-2-15/h5-6,8,10H,1-4,14H2.
What are the key properties of (4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone?
(4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone has a molecular weight of 244.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 163509670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).