5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane

C11H18F2N2 — CID 169237953

IUPAC5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane
SMILESCC.CC(C)Nc1ccc(C(F)F)cn1
InChIInChI=1S/C9H12F2N2.C2H6/c1-6(2)13-8-4-3-7(5-12-8)9(10)11;1-2/h3-6,9H,1-2H3,(H,12,13);1-2H3
InChIKeyVZARZPHJWMSSDS-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.87
Rot. Bonds3

About 5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane

5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane (PubChem CID 169237953) has the molecular formula C11H18F2N2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane.

Molecular Properties

Compound Name5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane
PubChem CID169237953
Molecular FormulaC11H18F2N2
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane
SMILESCC.CC(C)Nc1ccc(C(F)F)cn1
InChIInChI=1S/C9H12F2N2.C2H6/c1-6(2)13-8-4-3-7(5-12-8)9(10)11;1-2/h3-6,9H,1-2H3,(H,12,13);1-2H3
InChIKeyVZARZPHJWMSSDS-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane?
The IUPAC name of 5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane (CID 169237953) is 5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane.
What is the SMILES notation for 5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane?
The canonical SMILES for 5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane is CC.CC(C)Nc1ccc(C(F)F)cn1.
What is the InChIKey of 5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane?
The InChIKey is VZARZPHJWMSSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2.C2H6/c1-6(2)13-8-4-3-7(5-12-8)9(10)11;1-2/h3-6,9H,1-2H3,(H,12,13);1-2H3.
What are the key properties of 5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane?
5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane has a molecular weight of 216.28 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane is sourced from PubChem (CID 169237953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).