4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine

C11H17F3N2O — CID 114490202

IUPAC4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
SMILESNC1COCC1CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)9-1-3-16(4-2-9)5-8-6-17-7-10(8)15/h1,8,10H,2-7,15H2
InChIKeyRPQDBFIVNMVJIH-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.15
Rot. Bonds2

About 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine

4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine (PubChem CID 114490202) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
PubChem CID114490202
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
SMILESNC1COCC1CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)9-1-3-16(4-2-9)5-8-6-17-7-10(8)15/h1,8,10H,2-7,15H2
InChIKeyRPQDBFIVNMVJIH-UHFFFAOYSA-N
XLogP1.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 113591686
3-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
CID 113591699
3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 113591700
N-propyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 114490092
N-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 114490158
N-ethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 114490231
4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine
CID 106314886
N-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
CID 106314963
4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
CID 106314981
4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
CID 106315055
N-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
CID 106315106
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine
CID 113581596

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine?
The IUPAC name of 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine (CID 114490202) is 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine is NC1COCC1CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine?
The InChIKey is RPQDBFIVNMVJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)9-1-3-16(4-2-9)5-8-6-17-7-10(8)15/h1,8,10H,2-7,15H2.
What are the key properties of 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine?
4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine has a molecular weight of 250.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 114490202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).