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

C11H18F3NO — CID 170186016

IUPAC(3S)-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-/m0/s1
InChIKeyVCKZHXOEKLRTSK-VIFPVBQESA-N
MW237.26 g/mol
LogP2.44
Rot. Bonds3

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

(3S)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine (PubChem CID 170186016) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is (3S)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(3S)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine
PubChem CID170186016
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name(3S)-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-/m0/s1
InChIKeyVCKZHXOEKLRTSK-VIFPVBQESA-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

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine?
The IUPAC name of (3S)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine (CID 170186016) is (3S)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine.
What is the SMILES notation for (3S)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine?
The canonical SMILES for (3S)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine is CCC1(CN2CCOC[C@H]2C(F)(F)F)CC1.
What is the InChIKey of (3S)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine?
The InChIKey is VCKZHXOEKLRTSK-VIFPVBQESA-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-/m0/s1.
What are the key properties of (3S)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine?
(3S)-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 (3S)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine is sourced from PubChem (CID 170186016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).