3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine

C12H18F2N2 — CID 176663812

IUPAC3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine
SMILESC=CC(F)F.CC(C)Cc1cccnc1N
InChIInChI=1S/C9H14N2.C3H4F2/c1-7(2)6-8-4-3-5-11-9(8)10;1-2-3(4)5/h3-5,7H,6H2,1-2H3,(H2,10,11);2-3H,1H2
InChIKeySSAXPQGRMJVBLA-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.30
Rot. Bonds3

About 3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine

3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine (PubChem CID 176663812) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine
PubChem CID176663812
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine
SMILESC=CC(F)F.CC(C)Cc1cccnc1N
InChIInChI=1S/C9H14N2.C3H4F2/c1-7(2)6-8-4-3-5-11-9(8)10;1-2-3(4)5/h3-5,7H,6H2,1-2H3,(H2,10,11);2-3H,1H2
InChIKeySSAXPQGRMJVBLA-UHFFFAOYSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine (CID 176663812) is 3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine is C=CC(F)F.CC(C)Cc1cccnc1N.
What is the InChIKey of 3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine?
The InChIKey is SSAXPQGRMJVBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C3H4F2/c1-7(2)6-8-4-3-5-11-9(8)10;1-2-3(4)5/h3-5,7H,6H2,1-2H3,(H2,10,11);2-3H,1H2.
What are the key properties of 3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine?
3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine has a molecular weight of 228.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 176663812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).