(2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine

C14H24F3NO — CID 170186737

IUPAC(2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine
SMILESCC(C)(C)CC1(CN2CCO[C@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C14H24F3NO/c1-12(2,3)9-13(4-5-13)10-18-6-7-19-11(8-18)14(15,16)17/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyNMLLTGDJSREODY-NSHDSACASA-N
MW279.35 g/mol
LogP3.47
Rot. Bonds3

About (2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine

(2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine (PubChem CID 170186737) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is (2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine
PubChem CID170186737
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name(2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine
SMILESCC(C)(C)CC1(CN2CCO[C@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C14H24F3NO/c1-12(2,3)9-13(4-5-13)10-18-6-7-19-11(8-18)14(15,16)17/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyNMLLTGDJSREODY-NSHDSACASA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of (2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine (CID 170186737) is (2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine is CC(C)(C)CC1(CN2CCO[C@H](C(F)(F)F)C2)CC1.
What is the InChIKey of (2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is NMLLTGDJSREODY-NSHDSACASA-N. The full InChI is InChI=1S/C14H24F3NO/c1-12(2,3)9-13(4-5-13)10-18-6-7-19-11(8-18)14(15,16)17/h11H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine?
(2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 279.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 170186737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).