(E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide

C18H24F2N2 — CID 144542744

IUPAC(E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide
SMILESC=CNC(/C=C(\C)c1cccc(CCCC(C)(F)F)c1)=N\C
InChIInChI=1S/C18H24F2N2/c1-5-22-17(21-4)12-14(2)16-10-6-8-15(13-16)9-7-11-18(3,19)20/h5-6,8,10,12-13H,1,7,9,11H2,2-4H3,(H,21,22)/b14-12+
InChIKeySZHLAWBELGYPNR-WYMLVPIESA-N
MW306.40 g/mol
LogP4.83
Rot. Bonds7

About (E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide

(E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide (PubChem CID 144542744) has the molecular formula C18H24F2N2 and a molecular weight of 306.40 g/mol. Its IUPAC name is (E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide
PubChem CID144542744
Molecular FormulaC18H24F2N2
Molecular Weight306.40 g/mol
Exact Mass306.19
IUPAC Name(E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide
SMILESC=CNC(/C=C(\C)c1cccc(CCCC(C)(F)F)c1)=N\C
InChIInChI=1S/C18H24F2N2/c1-5-22-17(21-4)12-14(2)16-10-6-8-15(13-16)9-7-11-18(3,19)20/h5-6,8,10,12-13H,1,7,9,11H2,2-4H3,(H,21,22)/b14-12+
InChIKeySZHLAWBELGYPNR-WYMLVPIESA-N
XLogP4.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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1-[3-(2,2-dimethylbut-3-enyl)phenyl]ethanone
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5-[3-(4,4-dimethyl-5-oxopentyl)phenyl]-2,2-dimethylpentanal
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1-butyl-3-hex-1-en-2-ylbenzene
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CID 111987971
4,4-difluoropentylbenzene;formaldehyde;[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl] N-methyl-3-oxobutanimidate;N-methylmethanamine;molecular hydrogen;propane
CID 142191428
(5,5,5-trifluoro-4,4-dimethylpentyl)benzene
CID 145046793
N'-amino-3-butylbenzenecarboximidamide
CID 54572908
N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide
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1-(3-isocyanatopropyl)-3-prop-1-en-2-ylbenzene
CID 87893878

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide?
The IUPAC name of (E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide (CID 144542744) is (E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide.
What is the SMILES notation for (E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide?
The canonical SMILES for (E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide is C=CNC(/C=C(\C)c1cccc(CCCC(C)(F)F)c1)=N\C.
What is the InChIKey of (E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide?
The InChIKey is SZHLAWBELGYPNR-WYMLVPIESA-N. The full InChI is InChI=1S/C18H24F2N2/c1-5-22-17(21-4)12-14(2)16-10-6-8-15(13-16)9-7-11-18(3,19)20/h5-6,8,10,12-13H,1,7,9,11H2,2-4H3,(H,21,22)/b14-12+.
What are the key properties of (E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide?
(E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide has a molecular weight of 306.40 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(4,4-difluoropentyl)phenyl]-N-ethenyl-N'-methylbut-2-enimidamide is sourced from PubChem (CID 144542744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).