(2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine

C9H16FNO — CID 90065255

IUPAC(2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine
SMILESFC[C@H]1CO[C@@H](CC2CC2)CN1
InChIInChI=1S/C9H16FNO/c10-4-8-6-12-9(5-11-8)3-7-1-2-7/h7-9,11H,1-6H2/t8-,9-/m0/s1
InChIKeyLLYOOVISSQWZEO-IUCAKERBSA-N
MW173.23 g/mol
LogP1.11
Rot. Bonds3

About (2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine

(2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine (PubChem CID 90065255) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine.

Molecular Properties

Compound Name(2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine
PubChem CID90065255
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine
SMILESFC[C@H]1CO[C@@H](CC2CC2)CN1
InChIInChI=1S/C9H16FNO/c10-4-8-6-12-9(5-11-8)3-7-1-2-7/h7-9,11H,1-6H2/t8-,9-/m0/s1
InChIKeyLLYOOVISSQWZEO-IUCAKERBSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine?
The IUPAC name of (2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine (CID 90065255) is (2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine.
What is the SMILES notation for (2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine?
The canonical SMILES for (2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine is FC[C@H]1CO[C@@H](CC2CC2)CN1.
What is the InChIKey of (2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine?
The InChIKey is LLYOOVISSQWZEO-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16FNO/c10-4-8-6-12-9(5-11-8)3-7-1-2-7/h7-9,11H,1-6H2/t8-,9-/m0/s1.
What are the key properties of (2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine?
(2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine has a molecular weight of 173.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(cyclopropylmethyl)-5-(fluoromethyl)morpholine is sourced from PubChem (CID 90065255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).