4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine

C12H16F4N2O — CID 70892621

IUPAC4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine
SMILESCC1CN(C2=C(F)C(F)C(N)C(F)=C2F)CC(C)O1
InChIInChI=1S/C12H16F4N2O/c1-5-3-18(4-6(2)19-5)12-9(15)7(13)11(17)8(14)10(12)16/h5-7,11H,3-4,17H2,1-2H3
InChIKeyNFLADEHXKIVEAK-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.11
Rot. Bonds1

About 4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine

4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine (PubChem CID 70892621) has the molecular formula C12H16F4N2O and a molecular weight of 280.27 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine
PubChem CID70892621
Molecular FormulaC12H16F4N2O
Molecular Weight280.27 g/mol
Exact Mass280.12
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine
SMILESCC1CN(C2=C(F)C(F)C(N)C(F)=C2F)CC(C)O1
InChIInChI=1S/C12H16F4N2O/c1-5-3-18(4-6(2)19-5)12-9(15)7(13)11(17)8(14)10(12)16/h5-7,11H,3-4,17H2,1-2H3
InChIKeyNFLADEHXKIVEAK-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine (CID 70892621) is 4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine is CC1CN(C2=C(F)C(F)C(N)C(F)=C2F)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine?
The InChIKey is NFLADEHXKIVEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O/c1-5-3-18(4-6(2)19-5)12-9(15)7(13)11(17)8(14)10(12)16/h5-7,11H,3-4,17H2,1-2H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine?
4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine has a molecular weight of 280.27 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70892621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).