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

C8H12F3N3 — CID 158232670

IUPAC4-(1,1,1-trifluoropropan-2-yl)-3H-pyridine-3,4-diamine
SMILESCC(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
InChIKeyGEONCDSQPSNFCC-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.81
Rot. Bonds1

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

4-(1,1,1-trifluoropropan-2-yl)-3H-pyridine-3,4-diamine (PubChem CID 158232670) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 4-(1,1,1-trifluoropropan-2-yl)-3H-pyridine-3,4-diamine.

Molecular Properties

Compound Name4-(1,1,1-trifluoropropan-2-yl)-3H-pyridine-3,4-diamine
PubChem CID158232670
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name4-(1,1,1-trifluoropropan-2-yl)-3H-pyridine-3,4-diamine
SMILESCC(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
InChIKeyGEONCDSQPSNFCC-UHFFFAOYSA-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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Related Compounds

(1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine
CID 68537118
4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine
CID 154452787
4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine
CID 164913660
4-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine
CID 154138792
4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine
CID 154152763
4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine
CID 154277795
4-cyclopropyl-3H-pyridine-3,4-diamine
CID 154111024
4-ethyl-3H-pyridine-3,4-diamine
CID 154116447

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoropropan-2-yl)-3H-pyridine-3,4-diamine?
The IUPAC name of 4-(1,1,1-trifluoropropan-2-yl)-3H-pyridine-3,4-diamine (CID 158232670) is 4-(1,1,1-trifluoropropan-2-yl)-3H-pyridine-3,4-diamine.
What is the SMILES notation for 4-(1,1,1-trifluoropropan-2-yl)-3H-pyridine-3,4-diamine?
The canonical SMILES for 4-(1,1,1-trifluoropropan-2-yl)-3H-pyridine-3,4-diamine is CC(C(F)(F)F)C1(N)C=CN=CC1N.
What is the InChIKey of 4-(1,1,1-trifluoropropan-2-yl)-3H-pyridine-3,4-diamine?
The InChIKey is GEONCDSQPSNFCC-UHFFFAOYSA-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.
What are the key properties of 4-(1,1,1-trifluoropropan-2-yl)-3H-pyridine-3,4-diamine?
4-(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-(1,1,1-trifluoropropan-2-yl)-3H-pyridine-3,4-diamine is sourced from PubChem (CID 158232670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).