N-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine

C6H10F2N2 — CID 154668420

IUPACN-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine
SMILESC=C/C(C)=N\N(C)C(F)F
InChIInChI=1S/C6H10F2N2/c1-4-5(2)9-10(3)6(7)8/h4,6H,1H2,2-3H3/b9-5-
InChIKeyFSPUPSWRCOXTPF-UITAMQMPSA-N
MW148.16 g/mol
LogP1.70
Rot. Bonds3

About N-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine

N-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine (PubChem CID 154668420) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is N-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine.

Molecular Properties

Compound NameN-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine
PubChem CID154668420
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC NameN-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine
SMILESC=C/C(C)=N\N(C)C(F)F
InChIInChI=1S/C6H10F2N2/c1-4-5(2)9-10(3)6(7)8/h4,6H,1H2,2-3H3/b9-5-
InChIKeyFSPUPSWRCOXTPF-UITAMQMPSA-N
XLogP1.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

lithium 1-methyl-3-(trifluoromethyl)-5H-pyrazol-5-ide
CID 135009698
N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethanamine
CID 89011586
(Z)-1,1,1-trifluoro-N-(propan-2-ylideneamino)but-3-en-2-imine
CID 123258309
N-methyl-N-[(E)-1,1,1-trifluorohex-5-en-2-ylideneamino]methanamine
CID 138629389
N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine
CID 144826065
N-[(E)-3-fluorobut-3-en-2-ylideneamino]-N-methylmethanamine
CID 169993581
1-Butene-3-one, dimethylhydrazone
CID 9601418
1,1-Dimethyl-3-(trifluoromethyl)pyrazol-1-ium
CID 162571217
(E)-1,1,1-trifluoro-N-(propan-2-ylideneamino)but-3-en-2-imine
CID 177057511
N-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine
CID 5363010
N-(but-3-en-2-ylideneamino)-N-methylmethanamine
CID 535821

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine?
The IUPAC name of N-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine (CID 154668420) is N-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine.
What is the SMILES notation for N-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine?
The canonical SMILES for N-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine is C=C/C(C)=N\N(C)C(F)F.
What is the InChIKey of N-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine?
The InChIKey is FSPUPSWRCOXTPF-UITAMQMPSA-N. The full InChI is InChI=1S/C6H10F2N2/c1-4-5(2)9-10(3)6(7)8/h4,6H,1H2,2-3H3/b9-5-.
What are the key properties of N-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine?
N-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine has a molecular weight of 148.16 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-3-en-2-ylideneamino]-1,1-difluoro-N-methylmethanamine is sourced from PubChem (CID 154668420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).