(6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine

C16H20FN — CID 176962375

IUPAC(6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine
SMILESC=C(CC)/C(=C1/C=CC=C(F)/C1=N\C)C1(C)CC1
InChIInChI=1S/C16H20FN/c1-5-11(2)14(16(3)9-10-16)12-7-6-8-13(17)15(12)18-4/h6-8H,2,5,9-10H2,1,3-4H3/b14-12+,18-15-
InChIKeyXDASEBWSIJHYPE-TVYBWHDCSA-N
MW245.34 g/mol
LogP4.54
Rot. Bonds3

About (6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine

(6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine (PubChem CID 176962375) has the molecular formula C16H20FN and a molecular weight of 245.34 g/mol. Its IUPAC name is (6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine
PubChem CID176962375
Molecular FormulaC16H20FN
Molecular Weight245.34 g/mol
Exact Mass245.16
IUPAC Name(6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine
SMILESC=C(CC)/C(=C1/C=CC=C(F)/C1=N\C)C1(C)CC1
InChIInChI=1S/C16H20FN/c1-5-11(2)14(16(3)9-10-16)12-7-6-8-13(17)15(12)18-4/h6-8H,2,5,9-10H2,1,3-4H3/b14-12+,18-15-
InChIKeyXDASEBWSIJHYPE-TVYBWHDCSA-N
XLogP4.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 54.54
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-[(6S)-6-ethenyl-2,4-difluoro-6-methylcyclohexa-1,3-dien-1-yl]-N-methylethanimine
CID 134485298
4-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)-3,5-dimethyl-2H-pyrrole
CID 156281232
(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine
CID 176962639
(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine
CID 176962942
1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine
CID 142357536
1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine
CID 90743390
(7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine
CID 130314997
(3E,5E,7E)-N,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-imine
CID 130340232
(5Z)-2-cyclohepta-1,3,6-trien-1-yl-N,2,7-trimethyl-4-methylideneocta-5,7-dien-3-imine;ethane
CID 141810876
8-but-3-enyl-N,7,7-trimethyl-8H-benzo[7]annulen-6-imine
CID 142922304
1-(2-ethylcyclohexa-1,3-dien-1-yl)-N,2,2-trimethylpropan-1-imine
CID 144395957
butane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine
CID 145242402

Frequently Asked Questions

What is the IUPAC name of (6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine (CID 176962375) is (6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine is C=C(CC)/C(=C1/C=CC=C(F)/C1=N\C)C1(C)CC1.
What is the InChIKey of (6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine?
The InChIKey is XDASEBWSIJHYPE-TVYBWHDCSA-N. The full InChI is InChI=1S/C16H20FN/c1-5-11(2)14(16(3)9-10-16)12-7-6-8-13(17)15(12)18-4/h6-8H,2,5,9-10H2,1,3-4H3/b14-12+,18-15-.
What are the key properties of (6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine?
(6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine has a molecular weight of 245.34 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 176962375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).