N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine

C8H14FN — CID 142996705

IUPACN-[(Z)-but-1-enyl]-1-fluorobutan-2-imine
SMILESCC/C=C\N=C(/CC)CF
InChIInChI=1S/C8H14FN/c1-3-5-6-10-8(4-2)7-9/h5-6H,3-4,7H2,1-2H3/b6-5-,10-8+
InChIKeyYJTCODMDIDELKP-UGXDAERVSA-N
MW143.20 g/mol
LogP2.73
Rot. Bonds4

About N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine

N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine (PubChem CID 142996705) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-1-fluorobutan-2-imine
PubChem CID142996705
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC NameN-[(Z)-but-1-enyl]-1-fluorobutan-2-imine
SMILESCC/C=C\N=C(/CC)CF
InChIInChI=1S/C8H14FN/c1-3-5-6-10-8(4-2)7-9/h5-6H,3-4,7H2,1-2H3/b6-5-,10-8+
InChIKeyYJTCODMDIDELKP-UGXDAERVSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.73
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

3-Fluoro-2-methyl-3,4-dihydropyridine
CID 89117465
N-[(E)-2-fluoroprop-1-enyl]but-3-en-2-imine
CID 89864903
1,1-difluoro-3-methyl-N-[(Z)-3-methylbut-1-enyl]butan-2-imine
CID 139305458
N-ethenyl-3-fluorobut-3-en-2-imine
CID 143330416
N-ethenyl-1-fluorobut-3-en-2-imine
CID 143843932
Ethane;2-(trifluoromethyl)-3,4-dihydropyridine
CID 144625238
ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine
CID 144801050
ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149506
ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 145149545
4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine
CID 146342859
N-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]propan-2-imine
CID 155416551
N-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]butan-2-imine
CID 155416552

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine?
The IUPAC name of N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine (CID 142996705) is N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine.
What is the SMILES notation for N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine?
The canonical SMILES for N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine is CC/C=C\N=C(/CC)CF.
What is the InChIKey of N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine?
The InChIKey is YJTCODMDIDELKP-UGXDAERVSA-N. The full InChI is InChI=1S/C8H14FN/c1-3-5-6-10-8(4-2)7-9/h5-6H,3-4,7H2,1-2H3/b6-5-,10-8+.
What are the key properties of N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine?
N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine has a molecular weight of 143.20 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine is sourced from PubChem (CID 142996705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).