5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine

C10H16FN3O — CID 172760477

IUPAC5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC(F)=CC1(N)C1COCCN1
InChIInChI=1S/C10H16FN3O/c11-7-1-2-8(12)10(13,5-7)9-6-15-4-3-14-9/h1-2,5,8-9,14H,3-4,6,12-13H2
InChIKeyLPPWTXSZWHSIMR-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.58
Rot. Bonds1

About 5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine

5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 172760477) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine
PubChem CID172760477
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC(F)=CC1(N)C1COCCN1
InChIInChI=1S/C10H16FN3O/c11-7-1-2-8(12)10(13,5-7)9-6-15-4-3-14-9/h1-2,5,8-9,14H,3-4,6,12-13H2
InChIKeyLPPWTXSZWHSIMR-UHFFFAOYSA-N
XLogP-0.58
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine (CID 172760477) is 5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine is NC1C=CC(F)=CC1(N)C1COCCN1.
What is the InChIKey of 5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is LPPWTXSZWHSIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c11-7-1-2-8(12)10(13,5-7)9-6-15-4-3-14-9/h1-2,5,8-9,14H,3-4,6,12-13H2.
What are the key properties of 5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine?
5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 213.26 g/mol, XLogP of -0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-morpholin-3-ylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 172760477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).