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

C8H13F2N3 — CID 167485613

IUPAC4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine
SMILESCC(C(F)F)C1(N)C=CN=C(N)C1
InChIInChI=1S/C8H13F2N3/c1-5(7(9)10)8(12)2-3-13-6(11)4-8/h2-3,5,7H,4,12H2,1H3,(H2,11,13)
InChIKeyZUBSSLYNNJUFTR-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.86
Rot. Bonds2

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

4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine (PubChem CID 167485613) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine.

Molecular Properties

Compound Name4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine
PubChem CID167485613
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine
SMILESCC(C(F)F)C1(N)C=CN=C(N)C1
InChIInChI=1S/C8H13F2N3/c1-5(7(9)10)8(12)2-3-13-6(11)4-8/h2-3,5,7H,4,12H2,1H3,(H2,11,13)
InChIKeyZUBSSLYNNJUFTR-UHFFFAOYSA-N
XLogP0.86
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine?
The IUPAC name of 4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine (CID 167485613) is 4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine.
What is the SMILES notation for 4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine?
The canonical SMILES for 4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine is CC(C(F)F)C1(N)C=CN=C(N)C1.
What is the InChIKey of 4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine?
The InChIKey is ZUBSSLYNNJUFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-5(7(9)10)8(12)2-3-13-6(11)4-8/h2-3,5,7H,4,12H2,1H3,(H2,11,13).
What are the key properties of 4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine?
4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine has a molecular weight of 189.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine is sourced from PubChem (CID 167485613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).