5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline

C11H14F2N2 — CID 115111094

IUPAC5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(/C=C/CN)cc(F)c1F
InChIInChI=1S/C11H14F2N2/c1-15(2)10-7-8(4-3-5-14)6-9(12)11(10)13/h3-4,6-7H,5,14H2,1-2H3/b4-3+
InChIKeyKFTHNHJNHCUGFV-ONEGZZNKSA-N
MW212.24 g/mol
LogP2.00
Rot. Bonds3

About 5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline

5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline (PubChem CID 115111094) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline
PubChem CID115111094
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(/C=C/CN)cc(F)c1F
InChIInChI=1S/C11H14F2N2/c1-15(2)10-7-8(4-3-5-14)6-9(12)11(10)13/h3-4,6-7H,5,14H2,1-2H3/b4-3+
InChIKeyKFTHNHJNHCUGFV-ONEGZZNKSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline?
The IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline (CID 115111094) is 5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline.
What is the SMILES notation for 5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline?
The canonical SMILES for 5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline is CN(C)c1cc(/C=C/CN)cc(F)c1F.
What is the InChIKey of 5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline?
The InChIKey is KFTHNHJNHCUGFV-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14F2N2/c1-15(2)10-7-8(4-3-5-14)6-9(12)11(10)13/h3-4,6-7H,5,14H2,1-2H3/b4-3+.
What are the key properties of 5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline?
5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline has a molecular weight of 212.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline is sourced from PubChem (CID 115111094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).