(Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride

C10H16FN — CID 177041230

IUPAC(Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride
SMILESC=C(CCC)/C(C)=C\C(F)=N\C
InChIInChI=1S/C10H16FN/c1-5-6-8(2)9(3)7-10(11)12-4/h7H,2,5-6H2,1,3-4H3/b9-7-,12-10-
InChIKeyXCYOKNHBHBNGCW-GEHMVYPESA-N
MW169.24 g/mol
LogP3.29
Rot. Bonds4

About (Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride

(Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride (PubChem CID 177041230) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride
PubChem CID177041230
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride
SMILESC=C(CCC)/C(C)=C\C(F)=N\C
InChIInChI=1S/C10H16FN/c1-5-6-8(2)9(3)7-10(11)12-4/h7H,2,5-6H2,1,3-4H3/b9-7-,12-10-
InChIKeyXCYOKNHBHBNGCW-GEHMVYPESA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
(5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine
CID 153384496
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
(E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine
CID 166122432
(3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine
CID 170019336
2-fluoro-N-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)but-2-en-1-imine
CID 173596066
(2Z,6Z)-2-fluoro-N,3-dimethyl-4,5-dimethylideneocta-2,6-dien-1-imine
CID 144036268
2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride
CID 144950409
(5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine
CID 170733996
(6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine
CID 177041111
(3E,6Z)-4-ethyl-N-methyl-5-methylidenenona-3,6,8-trien-2-imine
CID 88575967
(3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine
CID 91367652

Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride?
The IUPAC name of (Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride (CID 177041230) is (Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride?
The canonical SMILES for (Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride is C=C(CCC)/C(C)=C\C(F)=N\C.
What is the InChIKey of (Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride?
The InChIKey is XCYOKNHBHBNGCW-GEHMVYPESA-N. The full InChI is InChI=1S/C10H16FN/c1-5-6-8(2)9(3)7-10(11)12-4/h7H,2,5-6H2,1,3-4H3/b9-7-,12-10-.
What are the key properties of (Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride?
(Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride has a molecular weight of 169.24 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride is sourced from PubChem (CID 177041230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).