(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine

C7H5ClF4N2 — CID 131029081

IUPAC(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1cnc(F)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C7H5ClF4N2/c8-4-1-3(2-14-6(4)9)5(13)7(10,11)12/h1-2,5H,13H2/t5-/m1/s1
InChIKeyAMQXJOXAFMJPDM-RXMQYKEDSA-N
MW228.58 g/mol
LogP2.44
Rot. Bonds1

About (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine

(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine (PubChem CID 131029081) has the molecular formula C7H5ClF4N2 and a molecular weight of 228.58 g/mol. Its IUPAC name is (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine
PubChem CID131029081
Molecular FormulaC7H5ClF4N2
Molecular Weight228.58 g/mol
Exact Mass228.01
IUPAC Name(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1cnc(F)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C7H5ClF4N2/c8-4-1-3(2-14-6(4)9)5(13)7(10,11)12/h1-2,5H,13H2/t5-/m1/s1
InChIKeyAMQXJOXAFMJPDM-RXMQYKEDSA-N
XLogP2.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.58
LogP ≤ 52.44
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-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 130641095
(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine
CID 130642219
(1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97290350
(1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 130655879
2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanamine
CID 55296694
1-(5-chloro-6-fluoro-3-pyridinyl)butane-1,2,4-triol
CID 171872046
(1S)-1-(4-chloro-3-fluorophenyl)-2,2,2-trifluoroethanamine
CID 56971915
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512002
4-(5-chloro-6-fluoro-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900712
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-chlorobenzoic acid
CID 66511603
3-chloro-2-fluoro-5-(trichloromethyl)pyridine
CID 156784234
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171251448

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine (CID 131029081) is (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine is N[C@H](c1cnc(F)c(Cl)c1)C(F)(F)F.
What is the InChIKey of (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The InChIKey is AMQXJOXAFMJPDM-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H5ClF4N2/c8-4-1-3(2-14-6(4)9)5(13)7(10,11)12/h1-2,5H,13H2/t5-/m1/s1.
What are the key properties of (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine?
(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine has a molecular weight of 228.58 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 131029081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).