1,3-difluoro-N,N-dimethylprop-2-en-1-amine

C5H9F2N — CID 170171201

IUPAC1,3-difluoro-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)C(F)C=CF
InChIInChI=1S/C5H9F2N/c1-8(2)5(7)3-4-6/h3-5H,1-2H3
InChIKeyXVSMBLOICWYCEW-UHFFFAOYSA-N
MW121.13 g/mol
LogP1.33
Rot. Bonds2

About 1,3-difluoro-N,N-dimethylprop-2-en-1-amine

1,3-difluoro-N,N-dimethylprop-2-en-1-amine (PubChem CID 170171201) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 1,3-difluoro-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1,3-difluoro-N,N-dimethylprop-2-en-1-amine
PubChem CID170171201
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name1,3-difluoro-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)C(F)C=CF
InChIInChI=1S/C5H9F2N/c1-8(2)5(7)3-4-6/h3-5H,1-2H3
InChIKeyXVSMBLOICWYCEW-UHFFFAOYSA-N
XLogP1.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of 1,3-difluoro-N,N-dimethylprop-2-en-1-amine (CID 170171201) is 1,3-difluoro-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1,3-difluoro-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for 1,3-difluoro-N,N-dimethylprop-2-en-1-amine is CN(C)C(F)C=CF.
What is the InChIKey of 1,3-difluoro-N,N-dimethylprop-2-en-1-amine?
The InChIKey is XVSMBLOICWYCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-8(2)5(7)3-4-6/h3-5H,1-2H3.
What are the key properties of 1,3-difluoro-N,N-dimethylprop-2-en-1-amine?
1,3-difluoro-N,N-dimethylprop-2-en-1-amine has a molecular weight of 121.13 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 170171201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).