3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile

C8H11FN2 — CID 123565240

IUPAC3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile
SMILESC=C(C#N)C(F)=CCCNC
InChIInChI=1S/C8H11FN2/c1-7(6-10)8(9)4-3-5-11-2/h4,11H,1,3,5H2,2H3
InChIKeyWYYAPILOTHDHKU-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.53
Rot. Bonds4

About 3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile

3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile (PubChem CID 123565240) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile.

Molecular Properties

Compound Name3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile
PubChem CID123565240
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile
SMILESC=C(C#N)C(F)=CCCNC
InChIInChI=1S/C8H11FN2/c1-7(6-10)8(9)4-3-5-11-2/h4,11H,1,3,5H2,2H3
InChIKeyWYYAPILOTHDHKU-UHFFFAOYSA-N
XLogP1.53
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine
CID 79599341
N,4-dimethylhept-3-en-6-yn-1-amine
CID 79598050
(E)-N,4-dimethylhex-3-en-1-amine;ethane
CID 144566513
(E)-N,4,5,5-tetramethylhex-3-en-1-amine
CID 83694651
(Z)-4-ethenyl-N-methylhept-3-en-1-amine
CID 130333267
2-cyanoprop-2-enoic acid;N-methylmethanamine
CID 21218802
5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine
CID 79599451
2-cyano-N-propylprop-2-enamide
CID 19079915
N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine
CID 91413458
3-(methylamino)propylcyanamide
CID 153177129
N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine
CID 79599217
(Z)-N,4,8-trimethylnon-3-en-1-amine
CID 83162608

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile?
The IUPAC name of 3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile (CID 123565240) is 3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile.
What is the SMILES notation for 3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile?
The canonical SMILES for 3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile is C=C(C#N)C(F)=CCCNC.
What is the InChIKey of 3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile?
The InChIKey is WYYAPILOTHDHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-7(6-10)8(9)4-3-5-11-2/h4,11H,1,3,5H2,2H3.
What are the key properties of 3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile?
3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile has a molecular weight of 154.19 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(methylamino)-2-methylidenehex-3-enenitrile is sourced from PubChem (CID 123565240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).