1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine

C11H23F2N — CID 177053855

IUPAC1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CCN(C)CCC.FCCF
InChIInChI=1S/C9H19N.C2H4F2/c1-5-7-10(4)8-6-9(2)3;3-1-2-4/h2,5-8H2,1,3-4H3;1-2H2
InChIKeyGQZLJWXSEQGFSA-UHFFFAOYSA-N
MW207.31 g/mol
LogP3.22
Rot. Bonds6

About 1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine

1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine (PubChem CID 177053855) has the molecular formula C11H23F2N and a molecular weight of 207.31 g/mol. Its IUPAC name is 1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine
PubChem CID177053855
Molecular FormulaC11H23F2N
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC Name1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CCN(C)CCC.FCCF
InChIInChI=1S/C9H19N.C2H4F2/c1-5-7-10(4)8-6-9(2)3;3-1-2-4/h2,5-8H2,1,3-4H3;1-2H2
InChIKeyGQZLJWXSEQGFSA-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine?
The IUPAC name of 1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine (CID 177053855) is 1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine?
The canonical SMILES for 1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine is C=C(C)CCN(C)CCC.FCCF.
What is the InChIKey of 1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine?
The InChIKey is GQZLJWXSEQGFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H4F2/c1-5-7-10(4)8-6-9(2)3;3-1-2-4/h2,5-8H2,1,3-4H3;1-2H2.
What are the key properties of 1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine?
1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine has a molecular weight of 207.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine is sourced from PubChem (CID 177053855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).