(E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine

C7H12FN — CID 142089117

IUPAC(E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine
SMILESC/C=C\NC(F)/C=C/C
InChIInChI=1S/C7H12FN/c1-3-5-7(8)9-6-4-2/h3-7,9H,1-2H3/b5-3+,6-4-
InChIKeyKLTAGWKFMKBEQV-UZNMPDEFSA-N
MW129.18 g/mol
LogP1.98
Rot. Bonds3

About (E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine

(E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine (PubChem CID 142089117) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine
PubChem CID142089117
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine
SMILESC/C=C\NC(F)/C=C/C
InChIInChI=1S/C7H12FN/c1-3-5-7(8)9-6-4-2/h3-7,9H,1-2H3/b5-3+,6-4-
InChIKeyKLTAGWKFMKBEQV-UZNMPDEFSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Ethyl propylenamine
CID 11446289
Methyl propylene amine
CID 12676328
Allyl vinyl amine
CID 20794241
Ethyl(1-propenyl)amine
CID 53718914
Di(1-propenyl)amine
CID 54562818
n-Propyl 1-propenylamine
CID 73861099
N-propenylprop-2-en-1-amine
CID 129748605
4-Fluoro-1,2-dihydropyridine
CID 18523056
2-Fluoro-1,2-dihydropyridine
CID 18619817
3-fluoro-N-methylprop-2-en-1-amine
CID 73664751
(Z)-N-(2,2-difluoroethyl)prop-1-en-1-amine
CID 87692914
(Z)-N-ethyl-2-fluoroprop-1-ene-1,3-diamine
CID 118973109

Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine?
The IUPAC name of (E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine (CID 142089117) is (E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine.
What is the SMILES notation for (E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine?
The canonical SMILES for (E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine is C/C=C\NC(F)/C=C/C.
What is the InChIKey of (E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine?
The InChIKey is KLTAGWKFMKBEQV-UZNMPDEFSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-5-7(8)9-6-4-2/h3-7,9H,1-2H3/b5-3+,6-4-.
What are the key properties of (E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine?
(E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine has a molecular weight of 129.18 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine is sourced from PubChem (CID 142089117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).