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

C6H8F3N — CID 137409528

IUPACN-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine
SMILESC=N/C=C(\CC)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-3-5(4-10-2)6(7,8)9/h4H,2-3H2,1H3/b5-4+
InChIKeyIJFVONBVCUBKDN-SNAWJCMRSA-N
MW151.13 g/mol
LogP2.54
Rot. Bonds2

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

N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine (PubChem CID 137409528) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine
PubChem CID137409528
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC NameN-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine
SMILESC=N/C=C(\CC)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-3-5(4-10-2)6(7,8)9/h4H,2-3H2,1H3/b5-4+
InChIKeyIJFVONBVCUBKDN-SNAWJCMRSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 52.54
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-(difluoromethyl)but-1-enyl]methanimine
CID 137409517
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-(trifluoromethyl)but-1-enyl]methanimine?
The IUPAC name of N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine (CID 137409528) is N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine is C=N/C=C(\CC)C(F)(F)F.
What is the InChIKey of N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine?
The InChIKey is IJFVONBVCUBKDN-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H8F3N/c1-3-5(4-10-2)6(7,8)9/h4H,2-3H2,1H3/b5-4+.
What are the key properties of N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine?
N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine has a molecular weight of 151.13 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine is sourced from PubChem (CID 137409528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).