N-(3-fluoroprop-1-en-2-yl)ethanimine

C5H8FN — CID 167049376

IUPACN-(3-fluoroprop-1-en-2-yl)ethanimine
SMILESCC=NC(=C)CF
InChIInChI=1S/C5H8FN/c1-3-7-5(2)4-6/h3H,2,4H2,1H3
InChIKeyCMTMFDNCAGVLQY-UHFFFAOYSA-N
MW101.12 g/mol
LogP0.60
Rot. Bonds2

About N-(3-fluoroprop-1-en-2-yl)ethanimine

N-(3-fluoroprop-1-en-2-yl)ethanimine (PubChem CID 167049376) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is N-(3-fluoroprop-1-en-2-yl)ethanimine.

Molecular Properties

Compound NameN-(3-fluoroprop-1-en-2-yl)ethanimine
PubChem CID167049376
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC NameN-(3-fluoroprop-1-en-2-yl)ethanimine
SMILESCC=NC(=C)CF
InChIInChI=1S/C5H8FN/c1-3-7-5(2)4-6/h3H,2,4H2,1H3
InChIKeyCMTMFDNCAGVLQY-UHFFFAOYSA-N
XLogP0.60
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity86

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine
CID 91012479
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]ethanimine
CID 117817156
(Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine
CID 118311796
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
CID 123498961
N-(1-fluoroprop-1-enyl)ethanimine
CID 123583069
N-(2-fluoroprop-1-enyl)ethanimine
CID 123691073
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
CID 123935366
N-(3,3-difluoroprop-1-en-2-yl)ethanimine
CID 139563797
N-[(E)-3-fluorobut-2-en-2-yl]prop-2-en-1-imine
CID 141985990
(Z)-N-[(E)-1-fluoroprop-1-en-2-yl]but-2-en-1-imine
CID 142010108
N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine
CID 142931568
2-fluoro-N-prop-1-en-2-ylprop-2-en-1-imine
CID 144380528

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoroprop-1-en-2-yl)ethanimine?
The IUPAC name of N-(3-fluoroprop-1-en-2-yl)ethanimine (CID 167049376) is N-(3-fluoroprop-1-en-2-yl)ethanimine.
What is the SMILES notation for N-(3-fluoroprop-1-en-2-yl)ethanimine?
The canonical SMILES for N-(3-fluoroprop-1-en-2-yl)ethanimine is CC=NC(=C)CF.
What is the InChIKey of N-(3-fluoroprop-1-en-2-yl)ethanimine?
The InChIKey is CMTMFDNCAGVLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c1-3-7-5(2)4-6/h3H,2,4H2,1H3.
What are the key properties of N-(3-fluoroprop-1-en-2-yl)ethanimine?
N-(3-fluoroprop-1-en-2-yl)ethanimine has a molecular weight of 101.12 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoroprop-1-en-2-yl)ethanimine is sourced from PubChem (CID 167049376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).