3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine

C7H10FN — CID 163389160

IUPAC3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine
SMILESC=C(C)/N=C(\C)C(=C)F
InChIInChI=1S/C7H10FN/c1-5(2)9-7(4)6(3)8/h1,3H2,2,4H3/b9-7+
InChIKeyNNMCSMIZTUULCO-VQHVLOKHSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

About 3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine

3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine (PubChem CID 163389160) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine.

Molecular Properties

Compound Name3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine
PubChem CID163389160
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine
SMILESC=C(C)/N=C(\C)C(=C)F
InChIInChI=1S/C7H10FN/c1-5(2)9-7(4)6(3)8/h1,3H2,2,4H3/b9-7+
InChIKeyNNMCSMIZTUULCO-VQHVLOKHSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.46
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

(E)-3-fluoro-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117805296
ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine
CID 143548562
1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine
CID 143548563
(Z)-N-(1-fluoroethenyl)but-3-en-2-imine
CID 143794064
(Z)-3-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine
CID 144251796
N-(3,3,3-trifluoroprop-1-en-2-yl)but-3-en-2-imine
CID 144251803
N-(4,4,4-trifluorobut-1-en-2-yl)butan-2-imine
CID 146618655
N-[(E)-1-fluorobut-1-enyl]propan-2-imine
CID 166684433
N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropenta-3,4-dien-2-imine
CID 167222148
3-[(E)-1-fluoroprop-1-enyl]iminobut-1-en-2-amine
CID 173988759
N-but-1-en-2-ylprop-2-enimidoyl fluoride
CID 177956694
N-[(Z)-but-2-en-2-yl]-3-fluorobut-3-en-2-imine
CID 168891820

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine?
The IUPAC name of 3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine (CID 163389160) is 3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine.
What is the SMILES notation for 3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine?
The canonical SMILES for 3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine is C=C(C)/N=C(\C)C(=C)F.
What is the InChIKey of 3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine?
The InChIKey is NNMCSMIZTUULCO-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H10FN/c1-5(2)9-7(4)6(3)8/h1,3H2,2,4H3/b9-7+.
What are the key properties of 3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine?
3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine has a molecular weight of 127.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine is sourced from PubChem (CID 163389160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).