4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine

C8H12F3N3 — CID 154152763

IUPAC4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine
SMILESC[C@@H](C(F)(F)F)C1(N)C=CN=CC1N
InChIInChI=1S/C8H12F3N3/c1-5(8(9,10)11)7(13)2-3-14-4-6(7)12/h2-6H,12-13H2,1H3/t5-,6?,7?/m1/s1
InChIKeyGEONCDSQPSNFCC-GRQBKTHUSA-N
MW207.20 g/mol
LogP0.81
Rot. Bonds1

About 4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine

4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine (PubChem CID 154152763) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine.

Molecular Properties

Compound Name4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine
PubChem CID154152763
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine
SMILESC[C@@H](C(F)(F)F)C1(N)C=CN=CC1N
InChIInChI=1S/C8H12F3N3/c1-5(8(9,10)11)7(13)2-3-14-4-6(7)12/h2-6H,12-13H2,1H3/t5-,6?,7?/m1/s1
InChIKeyGEONCDSQPSNFCC-GRQBKTHUSA-N
XLogP0.81
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine?
The IUPAC name of 4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine (CID 154152763) is 4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine.
What is the SMILES notation for 4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine?
The canonical SMILES for 4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine is C[C@@H](C(F)(F)F)C1(N)C=CN=CC1N.
What is the InChIKey of 4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine?
The InChIKey is GEONCDSQPSNFCC-GRQBKTHUSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-5(8(9,10)11)7(13)2-3-14-4-6(7)12/h2-6H,12-13H2,1H3/t5-,6?,7?/m1/s1.
What are the key properties of 4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine?
4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine has a molecular weight of 207.20 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine is sourced from PubChem (CID 154152763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).