5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine

C10H15FN2O — CID 167074369

IUPAC5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(N2CCOCC2)=C(F)C1
InChIInChI=1S/C10H15FN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,8H,3-7,12H2
InChIKeyIGPNNPMRFLNASG-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.79
Rot. Bonds1

About 5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine

5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine (PubChem CID 167074369) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine
PubChem CID167074369
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(N2CCOCC2)=C(F)C1
InChIInChI=1S/C10H15FN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,8H,3-7,12H2
InChIKeyIGPNNPMRFLNASG-UHFFFAOYSA-N
XLogP0.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine (CID 167074369) is 5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine is NC1C=CC(N2CCOCC2)=C(F)C1.
What is the InChIKey of 5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is IGPNNPMRFLNASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,8H,3-7,12H2.
What are the key properties of 5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine?
5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 198.24 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 167074369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).