(3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine

C11H18F3NO — CID 170186015

IUPAC(3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine
SMILESCCC1(CN2CCOC[C@@H]2C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c1-2-10(3-4-10)8-15-5-6-16-7-9(15)11(12,13)14/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyVCKZHXOEKLRTSK-SECBINFHSA-N
MW237.26 g/mol
LogP2.44
Rot. Bonds3

About (3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine

(3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine (PubChem CID 170186015) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is (3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine
PubChem CID170186015
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name(3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine
SMILESCCC1(CN2CCOC[C@@H]2C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c1-2-10(3-4-10)8-15-5-6-16-7-9(15)11(12,13)14/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyVCKZHXOEKLRTSK-SECBINFHSA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)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 (3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine?
The IUPAC name of (3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine (CID 170186015) is (3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine.
What is the SMILES notation for (3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine?
The canonical SMILES for (3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine is CCC1(CN2CCOC[C@@H]2C(F)(F)F)CC1.
What is the InChIKey of (3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine?
The InChIKey is VCKZHXOEKLRTSK-SECBINFHSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-2-10(3-4-10)8-15-5-6-16-7-9(15)11(12,13)14/h9H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine?
(3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine has a molecular weight of 237.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine is sourced from PubChem (CID 170186015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).