(1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine

C7H6ClF3N2 — CID 97296506

IUPAC(1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1cnccc1Cl)C(F)(F)F
InChIInChI=1S/C7H6ClF3N2/c8-5-1-2-13-3-4(5)6(12)7(9,10)11/h1-3,6H,12H2/t6-/m1/s1
InChIKeyPGGYGKSJEXQAQS-ZCFIWIBFSA-N
MW210.59 g/mol
LogP2.30
Rot. Bonds1

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

(1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine (PubChem CID 97296506) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is (1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
PubChem CID97296506
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name(1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1cnccc1Cl)C(F)(F)F
InChIInChI=1S/C7H6ClF3N2/c8-5-1-2-13-3-4(5)6(12)7(9,10)11/h1-3,6H,12H2/t6-/m1/s1
InChIKeyPGGYGKSJEXQAQS-ZCFIWIBFSA-N
XLogP2.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-chloro-3-pyridinyl)ethanamine
CID 96955517
(2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol
CID 130738472
(1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 130765840
(1R)-1-(4-chloro-3-pyridinyl)-2-methoxyethanamine
CID 55271212
3-amino-3-(4-chloro-3-pyridinyl)propanenitrile
CID 55291758
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(1R)-1-(4-chloro-3-pyridinyl)ethanethiol
CID 163825883
(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171247942
(1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine
CID 66512062
1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine
CID 112631132
(1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine
CID 131150469
(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine (CID 97296506) is (1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine is N[C@H](c1cnccc1Cl)C(F)(F)F.
What is the InChIKey of (1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The InChIKey is PGGYGKSJEXQAQS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c8-5-1-2-13-3-4(5)6(12)7(9,10)11/h1-3,6H,12H2/t6-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine?
(1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine has a molecular weight of 210.59 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 97296506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).