(4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine

C9H12FN — CID 123211965

IUPAC(4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine
SMILES[H]/N=C(C(/C#CC)=C\C)\C(C)F
InChIInChI=1S/C9H12FN/c1-4-6-8(5-2)9(11)7(3)10/h5,7,11H,1-3H3/b8-5-,11-9+
InChIKeyRWQUSELUKPTMEX-TWGJSUAUSA-N
MW153.20 g/mol
LogP2.33
Rot. Bonds2

About (4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine

(4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine (PubChem CID 123211965) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is (4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine.

Molecular Properties

Compound Name(4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine
PubChem CID123211965
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name(4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine
SMILES[H]/N=C(C(/C#CC)=C\C)\C(C)F
InChIInChI=1S/C9H12FN/c1-4-6-8(5-2)9(11)7(3)10/h5,7,11H,1-3H3/b8-5-,11-9+
InChIKeyRWQUSELUKPTMEX-TWGJSUAUSA-N
XLogP2.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-fluoro-6-methylhept-4-en-3-imine
CID 167081424
(Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine
CID 170257046
2-Methylhept-2-en-4-imine
CID 91215600
2-Methylocta-1,4-dien-6-yn-3-imine
CID 123433130
(Z)-4-ethynylhex-4-en-3-imine
CID 123546260
5-Ethylhept-4-en-6-yn-2-imine
CID 123648683
(3Z)-3-ethylidenehex-4-yn-2-imine
CID 123706228
(3E)-3-ethynyl-6-methylocta-3,6-dien-2-imine
CID 123756279
(E)-3-ethynylpent-3-en-2-imine
CID 130222451
6-Methyl-3-methylidenehept-5-en-2-imine
CID 139423531
7-(Cyclopropen-1-yl)hept-4-yn-2-imine
CID 154950942

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine?
The IUPAC name of (4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine (CID 123211965) is (4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine.
What is the SMILES notation for (4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine?
The canonical SMILES for (4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine is [H]/N=C(C(/C#CC)=C\C)\C(C)F.
What is the InChIKey of (4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine?
The InChIKey is RWQUSELUKPTMEX-TWGJSUAUSA-N. The full InChI is InChI=1S/C9H12FN/c1-4-6-8(5-2)9(11)7(3)10/h5,7,11H,1-3H3/b8-5-,11-9+.
What are the key properties of (4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine?
(4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine has a molecular weight of 153.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine is sourced from PubChem (CID 123211965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).