N-ethenyl-1,1-difluoro-N-methylethanamine

C5H9F2N — CID 160900448

IUPACN-ethenyl-1,1-difluoro-N-methylethanamine
SMILESC=CN(C)C(C)(F)F
InChIInChI=1S/C5H9F2N/c1-4-8(3)5(2,6)7/h4H,1H2,2-3H3
InChIKeySPKWNNDQCHCPIP-UHFFFAOYSA-N
MW121.13 g/mol
LogP1.67
Rot. Bonds2

About N-ethenyl-1,1-difluoro-N-methylethanamine

N-ethenyl-1,1-difluoro-N-methylethanamine (PubChem CID 160900448) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is N-ethenyl-1,1-difluoro-N-methylethanamine.

Molecular Properties

Compound NameN-ethenyl-1,1-difluoro-N-methylethanamine
PubChem CID160900448
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC NameN-ethenyl-1,1-difluoro-N-methylethanamine
SMILESC=CN(C)C(C)(F)F
InChIInChI=1S/C5H9F2N/c1-4-8(3)5(2,6)7/h4H,1H2,2-3H3
InChIKeySPKWNNDQCHCPIP-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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 N-ethenyl-1,1-difluoro-N-methylethanamine?
The IUPAC name of N-ethenyl-1,1-difluoro-N-methylethanamine (CID 160900448) is N-ethenyl-1,1-difluoro-N-methylethanamine.
What is the SMILES notation for N-ethenyl-1,1-difluoro-N-methylethanamine?
The canonical SMILES for N-ethenyl-1,1-difluoro-N-methylethanamine is C=CN(C)C(C)(F)F.
What is the InChIKey of N-ethenyl-1,1-difluoro-N-methylethanamine?
The InChIKey is SPKWNNDQCHCPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-4-8(3)5(2,6)7/h4H,1H2,2-3H3.
What are the key properties of N-ethenyl-1,1-difluoro-N-methylethanamine?
N-ethenyl-1,1-difluoro-N-methylethanamine has a molecular weight of 121.13 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1,1-difluoro-N-methylethanamine is sourced from PubChem (CID 160900448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).