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

C7H12FN — CID 142996710

IUPACN-[(Z)-but-2-enyl]-1-fluoropropan-2-imine
SMILESC/C=C\C/N=C(\C)CF
InChIInChI=1S/C7H12FN/c1-3-4-5-9-7(2)6-8/h3-4H,5-6H2,1-2H3/b4-3-,9-7+
InChIKeyBTMPVJBVJOPDIO-GAWLIRPZSA-N
MW129.18 g/mol
LogP1.99
Rot. Bonds3

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

N-[(Z)-but-2-enyl]-1-fluoropropan-2-imine (PubChem CID 142996710) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is N-[(Z)-but-2-enyl]-1-fluoropropan-2-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-enyl]-1-fluoropropan-2-imine
PubChem CID142996710
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC NameN-[(Z)-but-2-enyl]-1-fluoropropan-2-imine
SMILESC/C=C\C/N=C(\C)CF
InChIInChI=1S/C7H12FN/c1-3-4-5-9-7(2)6-8/h3-4H,5-6H2,1-2H3/b4-3-,9-7+
InChIKeyBTMPVJBVJOPDIO-GAWLIRPZSA-N
XLogP1.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethylbut-2-enimidoyl fluoride
CID 134492872
N-[(1E)-2-fluorobuta-1,3-dienyl]propan-2-imine
CID 144406111
3-fluoro-N-prop-2-enylbutan-2-imine
CID 14644142
1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 142996728
N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine
CID 170977585
N-(1-Methylethylidene)-2-propen-1-amine
CID 10419135
2-Propen-1-amine, N-(1-methylpropylidene)-
CID 11040655
N-but-2-enylbutan-2-imine
CID 91609276
N-[(2Z,4Z)-hexa-2,4-dienyl]propan-2-imine
CID 142232790
N-(1,1-dideuterioprop-2-enyl)-3-fluorobutan-2-imine
CID 14644143

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-enyl]-1-fluoropropan-2-imine?
The IUPAC name of N-[(Z)-but-2-enyl]-1-fluoropropan-2-imine (CID 142996710) is N-[(Z)-but-2-enyl]-1-fluoropropan-2-imine.
What is the SMILES notation for N-[(Z)-but-2-enyl]-1-fluoropropan-2-imine?
The canonical SMILES for N-[(Z)-but-2-enyl]-1-fluoropropan-2-imine is C/C=C\C/N=C(\C)CF.
What is the InChIKey of N-[(Z)-but-2-enyl]-1-fluoropropan-2-imine?
The InChIKey is BTMPVJBVJOPDIO-GAWLIRPZSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-4-5-9-7(2)6-8/h3-4H,5-6H2,1-2H3/b4-3-,9-7+.
What are the key properties of N-[(Z)-but-2-enyl]-1-fluoropropan-2-imine?
N-[(Z)-but-2-enyl]-1-fluoropropan-2-imine has a molecular weight of 129.18 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-enyl]-1-fluoropropan-2-imine is sourced from PubChem (CID 142996710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).