N-(3,3,3-trifluoropropyl)morpholin-4-amine

C7H13F3N2O — CID 83022032

IUPACN-(3,3,3-trifluoropropyl)morpholin-4-amine
SMILESFC(F)(F)CCNN1CCOCC1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)1-2-11-12-3-5-13-6-4-12/h11H,1-6H2
InChIKeyMIWNKANXMWOYNG-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.78
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)morpholin-4-amine

N-(3,3,3-trifluoropropyl)morpholin-4-amine (PubChem CID 83022032) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)morpholin-4-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)morpholin-4-amine
PubChem CID83022032
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC NameN-(3,3,3-trifluoropropyl)morpholin-4-amine
SMILESFC(F)(F)CCNN1CCOCC1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)1-2-11-12-3-5-13-6-4-12/h11H,1-6H2
InChIKeyMIWNKANXMWOYNG-UHFFFAOYSA-N
XLogP0.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)morpholin-4-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)morpholin-4-amine (CID 83022032) is N-(3,3,3-trifluoropropyl)morpholin-4-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)morpholin-4-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)morpholin-4-amine is FC(F)(F)CCNN1CCOCC1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)morpholin-4-amine?
The InChIKey is MIWNKANXMWOYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c8-7(9,10)1-2-11-12-3-5-13-6-4-12/h11H,1-6H2.
What are the key properties of N-(3,3,3-trifluoropropyl)morpholin-4-amine?
N-(3,3,3-trifluoropropyl)morpholin-4-amine has a molecular weight of 198.19 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)morpholin-4-amine is sourced from PubChem (CID 83022032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).