2,2,2-trifluoro-1-pyridin-2-ylethanamine

C7H7F3N2 — CID 25219911

IUPAC2,2,2-trifluoro-1-pyridin-2-ylethanamine
SMILESNC(c1ccccn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2/c8-7(9,10)6(11)5-3-1-2-4-12-5/h1-4,6H,11H2
InChIKeySYBAWUSIVYUZIZ-UHFFFAOYSA-N
MW176.14 g/mol
LogP1.64
Rot. Bonds1

About 2,2,2-trifluoro-1-pyridin-2-ylethanamine

2,2,2-trifluoro-1-pyridin-2-ylethanamine (PubChem CID 25219911) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-pyridin-2-ylethanamine
PubChem CID25219911
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC Name2,2,2-trifluoro-1-pyridin-2-ylethanamine
SMILESNC(c1ccccn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2/c8-7(9,10)6(11)5-3-1-2-4-12-5/h1-4,6H,11H2
InChIKeySYBAWUSIVYUZIZ-UHFFFAOYSA-N
XLogP1.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2,2-trifluoro-1-pyridin-2-ylethyl)azanide
CID 154488282
3,3,3-trifluoro-2-pyridin-2-ylpropanamide
CID 174447442
2-N,2-dimethyl-1-pyridin-2-ylpropane-1,2-diamine
CID 116938957
2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
CID 166470570
(1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine
CID 66510300
chloro(pyridin-2-yl)methanamine
CID 22075524
(1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine
CID 55293918
2-amino-2-pyridin-2-ylethanethial
CID 87216139
2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine
CID 71203343
(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 71164818
6-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine
CID 55274249
6-(1-amino-2,2,2-trifluoroethyl)pyridin-3-amine
CID 55271042

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-pyridin-2-ylethanamine?
The IUPAC name of 2,2,2-trifluoro-1-pyridin-2-ylethanamine (CID 25219911) is 2,2,2-trifluoro-1-pyridin-2-ylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-pyridin-2-ylethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-pyridin-2-ylethanamine is NC(c1ccccn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-pyridin-2-ylethanamine?
The InChIKey is SYBAWUSIVYUZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2/c8-7(9,10)6(11)5-3-1-2-4-12-5/h1-4,6H,11H2.
What are the key properties of 2,2,2-trifluoro-1-pyridin-2-ylethanamine?
2,2,2-trifluoro-1-pyridin-2-ylethanamine has a molecular weight of 176.14 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-pyridin-2-ylethanamine is sourced from PubChem (CID 25219911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).