N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine

C6H9F2N — CID 137409517

IUPACN-[(E)-2-(difluoromethyl)but-1-enyl]methanimine
SMILESC=N/C=C(\CC)C(F)F
InChIInChI=1S/C6H9F2N/c1-3-5(4-9-2)6(7)8/h4,6H,2-3H2,1H3/b5-4+
InChIKeyCNQLUSVLAZIIFT-SNAWJCMRSA-N
MW133.14 g/mol
LogP2.25
Rot. Bonds3

About N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine

N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine (PubChem CID 137409517) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-(difluoromethyl)but-1-enyl]methanimine
PubChem CID137409517
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC NameN-[(E)-2-(difluoromethyl)but-1-enyl]methanimine
SMILESC=N/C=C(\CC)C(F)F
InChIInChI=1S/C6H9F2N/c1-3-5(4-9-2)6(7)8/h4,6H,2-3H2,1H3/b5-4+
InChIKeyCNQLUSVLAZIIFT-SNAWJCMRSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-methylbut-1-enyl]methanimidoyl fluoride
CID 89513791
N-(2-fluorobut-1-enyl)methanimine
CID 123189785
N-(2-fluoro-3-methylbuta-1,3-dienyl)methanimine
CID 123320493
N-[2-(trifluoromethyl)buta-1,3-dienyl]methanimine
CID 123529757
N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine
CID 123912308
N-[(E)-3-fluoro-2-methylbut-1-enyl]methanimine
CID 130279947
N-[(E)-2-fluorobut-1-enyl]methanimine
CID 134191875
N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine
CID 134257495
N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine
CID 137409528
N-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine
CID 142437263
N-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]methanimine
CID 142931156
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine
CID 143420581

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine?
The IUPAC name of N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine (CID 137409517) is N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine is C=N/C=C(\CC)C(F)F.
What is the InChIKey of N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine?
The InChIKey is CNQLUSVLAZIIFT-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H9F2N/c1-3-5(4-9-2)6(7)8/h4,6H,2-3H2,1H3/b5-4+.
What are the key properties of N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine?
N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine has a molecular weight of 133.14 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine is sourced from PubChem (CID 137409517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).