3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine

C8H8F5N3 — CID 171312582

IUPAC3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine
SMILESNc1ncccc1[C@@H](N)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F5N3/c9-7(10,8(11,12)13)5(14)4-2-1-3-16-6(4)15/h1-3,5H,14H2,(H2,15,16)/t5-/m1/s1
InChIKeyRABQOKDUIGEYDB-RXMQYKEDSA-N
MW241.16 g/mol
LogP1.86
Rot. Bonds2

About 3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine

3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine (PubChem CID 171312582) has the molecular formula C8H8F5N3 and a molecular weight of 241.16 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine
PubChem CID171312582
Molecular FormulaC8H8F5N3
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine
SMILESNc1ncccc1[C@@H](N)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F5N3/c9-7(10,8(11,12)13)5(14)4-2-1-3-16-6(4)15/h1-3,5H,14H2,(H2,15,16)/t5-/m1/s1
InChIKeyRABQOKDUIGEYDB-RXMQYKEDSA-N
XLogP1.86
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine?
The IUPAC name of 3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine (CID 171312582) is 3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine.
What is the SMILES notation for 3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine?
The canonical SMILES for 3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine is Nc1ncccc1[C@@H](N)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine?
The InChIKey is RABQOKDUIGEYDB-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8F5N3/c9-7(10,8(11,12)13)5(14)4-2-1-3-16-6(4)15/h1-3,5H,14H2,(H2,15,16)/t5-/m1/s1.
What are the key properties of 3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine?
3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine has a molecular weight of 241.16 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine is sourced from PubChem (CID 171312582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).