N-(2-fluoroprop-1-enyl)ethanimine

C5H8FN — CID 123691073

IUPACN-(2-fluoroprop-1-enyl)ethanimine
SMILESC/C=N/C=C(C)F
InChIInChI=1S/C5H8FN/c1-3-7-4-5(2)6/h3-4H,1-2H3/b5-4?,7-3+
InChIKeyQPQHWPGNYCAPQT-WEJKQIJESA-N
MW101.12 g/mol
LogP1.91
Rot. Bonds1

About N-(2-fluoroprop-1-enyl)ethanimine

N-(2-fluoroprop-1-enyl)ethanimine (PubChem CID 123691073) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is N-(2-fluoroprop-1-enyl)ethanimine.

Molecular Properties

Compound NameN-(2-fluoroprop-1-enyl)ethanimine
PubChem CID123691073
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC NameN-(2-fluoroprop-1-enyl)ethanimine
SMILESC/C=N/C=C(C)F
InChIInChI=1S/C5H8FN/c1-3-7-4-5(2)6/h3-4H,1-2H3/b5-4?,7-3+
InChIKeyQPQHWPGNYCAPQT-WEJKQIJESA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.91
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

1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium
CID 123472643
N-[(1Z)-3-chloro-2-methylbuta-1,3-dienyl]ethanimine
CID 123892997
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
(Z)-N-ethenyl-N'-ethylidene-2-methylprop-2-ene-1,3-diimine
CID 147153115
(Z,2E)-2-[(ethylideneamino)methylidene]-3-methylpent-3-enenitrile
CID 163758840
(2E,4Z,6E)-7-(ethylideneamino)-6-methylhepta-2,4,6-triene-3-thiol
CID 167055907
N-(2,3-dimethylpenta-1,4-dienyl)ethanimine
CID 123735298
ethane;3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine
CID 176706611
(2E,4E)-2-fluoro-4-methylhexa-2,4-diene
CID 143698072
(Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine
CID 156821368
N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine
CID 154931880
ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine
CID 142064369

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroprop-1-enyl)ethanimine?
The IUPAC name of N-(2-fluoroprop-1-enyl)ethanimine (CID 123691073) is N-(2-fluoroprop-1-enyl)ethanimine.
What is the SMILES notation for N-(2-fluoroprop-1-enyl)ethanimine?
The canonical SMILES for N-(2-fluoroprop-1-enyl)ethanimine is C/C=N/C=C(C)F.
What is the InChIKey of N-(2-fluoroprop-1-enyl)ethanimine?
The InChIKey is QPQHWPGNYCAPQT-WEJKQIJESA-N. The full InChI is InChI=1S/C5H8FN/c1-3-7-4-5(2)6/h3-4H,1-2H3/b5-4?,7-3+.
What are the key properties of N-(2-fluoroprop-1-enyl)ethanimine?
N-(2-fluoroprop-1-enyl)ethanimine has a molecular weight of 101.12 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroprop-1-enyl)ethanimine is sourced from PubChem (CID 123691073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).