(1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine

C9H13F3N2O — CID 146538107

IUPAC(1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine
SMILESC[C@@H](N)C1C=CC(OCC(F)(F)F)=CN1
InChIInChI=1S/C9H13F3N2O/c1-6(13)8-3-2-7(4-14-8)15-5-9(10,11)12/h2-4,6,8,14H,5,13H2,1H3/t6-,8?/m1/s1
InChIKeyDVJMKKFYQVAUHP-XPJFZRNWSA-N
MW222.21 g/mol
LogP1.28
Rot. Bonds3

About (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine

(1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine (PubChem CID 146538107) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine
PubChem CID146538107
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name(1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine
SMILESC[C@@H](N)C1C=CC(OCC(F)(F)F)=CN1
InChIInChI=1S/C9H13F3N2O/c1-6(13)8-3-2-7(4-14-8)15-5-9(10,11)12/h2-4,6,8,14H,5,13H2,1H3/t6-,8?/m1/s1
InChIKeyDVJMKKFYQVAUHP-XPJFZRNWSA-N
XLogP1.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,2-Difluoropropoxy)-1,2-dihydropyridin-6-yl]ethanamine
CID 124095458
4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine
CID 134365782
1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine
CID 146537518
(1S)-1-[5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine
CID 146537712
2-Propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine
CID 169163178
N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 149496642
2-Methanidyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-1-ium
CID 162557057
2-Methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine
CID 162557058

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine?
The IUPAC name of (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine (CID 146538107) is (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine?
The canonical SMILES for (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine is C[C@@H](N)C1C=CC(OCC(F)(F)F)=CN1.
What is the InChIKey of (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine?
The InChIKey is DVJMKKFYQVAUHP-XPJFZRNWSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6(13)8-3-2-7(4-14-8)15-5-9(10,11)12/h2-4,6,8,14H,5,13H2,1H3/t6-,8?/m1/s1.
What are the key properties of (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine?
(1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine has a molecular weight of 222.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine is sourced from PubChem (CID 146538107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).