(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine

C9H10ClF3N2 — CID 118931407

IUPAC(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C9H10ClF3N2/c1-2-6(14)5-3-4-7(9(11,12)13)15-8(5)10/h3-4,6H,2,14H2,1H3/t6-/m1/s1
InChIKeyZJJBSUMRZLVOOZ-ZCFIWIBFSA-N
MW238.64 g/mol
LogP3.16
Rot. Bonds2

About (1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine

(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine (PubChem CID 118931407) has the molecular formula C9H10ClF3N2 and a molecular weight of 238.64 g/mol. Its IUPAC name is (1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
PubChem CID118931407
Molecular FormulaC9H10ClF3N2
Molecular Weight238.64 g/mol
Exact Mass238.05
IUPAC Name(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C9H10ClF3N2/c1-2-6(14)5-3-4-7(9(11,12)13)15-8(5)10/h3-4,6H,2,14H2,1H3/t6-/m1/s1
InChIKeyZJJBSUMRZLVOOZ-ZCFIWIBFSA-N
XLogP3.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine (CID 118931407) is (1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine is CC[C@@H](N)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of (1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The InChIKey is ZJJBSUMRZLVOOZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10ClF3N2/c1-2-6(14)5-3-4-7(9(11,12)13)15-8(5)10/h3-4,6H,2,14H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine has a molecular weight of 238.64 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 118931407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).