(1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine

C8H8ClF3N2 — CID 130641836

IUPAC(1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1cc(Cl)ccn1
InChIInChI=1S/C8H8ClF3N2/c9-5-1-2-14-7(3-5)6(13)4-8(10,11)12/h1-3,6H,4,13H2/t6-/m1/s1
InChIKeyAOQLFFOPOKURGU-ZCFIWIBFSA-N
MW224.61 g/mol
LogP2.69
Rot. Bonds2

About (1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine

(1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 130641836) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine
PubChem CID130641836
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name(1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1cc(Cl)ccn1
InChIInChI=1S/C8H8ClF3N2/c9-5-1-2-14-7(3-5)6(13)4-8(10,11)12/h1-3,6H,4,13H2/t6-/m1/s1
InChIKeyAOQLFFOPOKURGU-ZCFIWIBFSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171202089
(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103694258
(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131294993
(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941101
(1R)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941079
(1S)-1-(2-bromo-4-chlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171223347
1-(4-chloro-2-pyridinyl)prop-2-en-1-amine
CID 55294042
(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131403549
(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171210934
3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol
CID 170827537
1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693361
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine (CID 130641836) is (1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine is N[C@H](CC(F)(F)F)c1cc(Cl)ccn1.
What is the InChIKey of (1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is AOQLFFOPOKURGU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c9-5-1-2-14-7(3-5)6(13)4-8(10,11)12/h1-3,6H,4,13H2/t6-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine?
(1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 224.61 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 130641836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).