N-[(E)-1-fluoroprop-1-enyl]propan-2-imine

C6H10FN — CID 130215387

IUPACN-[(E)-1-fluoroprop-1-enyl]propan-2-imine
SMILESC/C=C(/F)N=C(C)C
InChIInChI=1S/C6H10FN/c1-4-6(7)8-5(2)3/h4H,1-3H3/b6-4-
InChIKeyUYVAKYUMIOZELJ-XQRVVYSFSA-N
MW115.15 g/mol
LogP2.30
Rot. Bonds1

About N-[(E)-1-fluoroprop-1-enyl]propan-2-imine

N-[(E)-1-fluoroprop-1-enyl]propan-2-imine (PubChem CID 130215387) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is N-[(E)-1-fluoroprop-1-enyl]propan-2-imine.

Molecular Properties

Compound NameN-[(E)-1-fluoroprop-1-enyl]propan-2-imine
PubChem CID130215387
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC NameN-[(E)-1-fluoroprop-1-enyl]propan-2-imine
SMILESC/C=C(/F)N=C(C)C
InChIInChI=1S/C6H10FN/c1-4-6(7)8-5(2)3/h4H,1-3H3/b6-4-
InChIKeyUYVAKYUMIOZELJ-XQRVVYSFSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-fluoroprop-1-enyl]propan-2-imine?
The IUPAC name of N-[(E)-1-fluoroprop-1-enyl]propan-2-imine (CID 130215387) is N-[(E)-1-fluoroprop-1-enyl]propan-2-imine.
What is the SMILES notation for N-[(E)-1-fluoroprop-1-enyl]propan-2-imine?
The canonical SMILES for N-[(E)-1-fluoroprop-1-enyl]propan-2-imine is C/C=C(/F)N=C(C)C.
What is the InChIKey of N-[(E)-1-fluoroprop-1-enyl]propan-2-imine?
The InChIKey is UYVAKYUMIOZELJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H10FN/c1-4-6(7)8-5(2)3/h4H,1-3H3/b6-4-.
What are the key properties of N-[(E)-1-fluoroprop-1-enyl]propan-2-imine?
N-[(E)-1-fluoroprop-1-enyl]propan-2-imine has a molecular weight of 115.15 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-fluoroprop-1-enyl]propan-2-imine is sourced from PubChem (CID 130215387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).