(1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride

C9H11Cl2F3N2 — CID 171198796

IUPAC(1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@H](CCC(F)(F)F)c1ccc(Cl)nc1
InChIInChI=1S/C9H10ClF3N2.ClH/c10-8-2-1-6(5-15-8)7(14)3-4-9(11,12)13;/h1-2,5,7H,3-4,14H2;1H/t7-;/m1./s1
InChIKeyYKSWRMQEROUDOC-OGFXRTJISA-N
MW275.10 g/mol
LogP3.50
Rot. Bonds3

About (1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride

(1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride (PubChem CID 171198796) has the molecular formula C9H11Cl2F3N2 and a molecular weight of 275.10 g/mol. Its IUPAC name is (1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
PubChem CID171198796
Molecular FormulaC9H11Cl2F3N2
Molecular Weight275.10 g/mol
Exact Mass274.03
IUPAC Name(1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@H](CCC(F)(F)F)c1ccc(Cl)nc1
InChIInChI=1S/C9H10ClF3N2.ClH/c10-8-2-1-6(5-15-8)7(14)3-4-9(11,12)13;/h1-2,5,7H,3-4,14H2;1H/t7-;/m1./s1
InChIKeyYKSWRMQEROUDOC-OGFXRTJISA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 53.50
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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Related Compounds

(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218295
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine
CID 130606280
(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
CID 131097718
(1S)-1-(6-chloro-3-pyridinyl)butane-1,4-diamine
CID 171218298
(1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97290350
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
(1R)-1-(6-chloro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171198788
1-[(1S)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302619
(1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198793
1-[(1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutyl]piperazine
CID 171303582
1-[(1S)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutyl]piperazine
CID 171302618
(1S)-1-(3,5-dichloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171224240

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride (CID 171198796) is (1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride is Cl.N[C@H](CCC(F)(F)F)c1ccc(Cl)nc1.
What is the InChIKey of (1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The InChIKey is YKSWRMQEROUDOC-OGFXRTJISA-N. The full InChI is InChI=1S/C9H10ClF3N2.ClH/c10-8-2-1-6(5-15-8)7(14)3-4-9(11,12)13;/h1-2,5,7H,3-4,14H2;1H/t7-;/m1./s1.
What are the key properties of (1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
(1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride has a molecular weight of 275.10 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride is sourced from PubChem (CID 171198796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).