(1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine

C9H11F3N2 — CID 130765840

IUPAC(1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine
SMILESCCc1ccncc1[C@H](N)C(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-2-6-3-4-14-5-7(6)8(13)9(10,11)12/h3-5,8H,2,13H2,1H3/t8-/m0/s1
InChIKeyQNAPLUXPGCWXJE-QMMMGPOBSA-N
MW204.19 g/mol
LogP2.21
Rot. Bonds2

About (1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine

(1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine (PubChem CID 130765840) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is (1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine
PubChem CID130765840
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name(1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine
SMILESCCc1ccncc1[C@H](N)C(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-2-6-3-4-14-5-7(6)8(13)9(10,11)12/h3-5,8H,2,13H2,1H3/t8-/m0/s1
InChIKeyQNAPLUXPGCWXJE-QMMMGPOBSA-N
XLogP2.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97296506
3,4-diethylpyridine;ethane
CID 90914060
[1-(3-ethyl-4-pyridinyl)-4,4,4-trifluorobutyl]hydrazine
CID 105262044
2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
CID 102708312
1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine
CID 82409851
2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide
CID 114827746
1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105038344
3-bromo-4-ethylpyridine
CID 13160533
2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
CID 102708310
ethane;(4-ethyl-3-pyridinyl)methanol;propane
CID 142370025
(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine
CID 130039959
4-ethyl-3-propan-2-yloxypyridine
CID 123491232

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine (CID 130765840) is (1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine is CCc1ccncc1[C@H](N)C(F)(F)F.
What is the InChIKey of (1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine?
The InChIKey is QNAPLUXPGCWXJE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-2-6-3-4-14-5-7(6)8(13)9(10,11)12/h3-5,8H,2,13H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine?
(1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine has a molecular weight of 204.19 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 130765840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).