N-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine

C14H15F2NO — CID 178171714

IUPACN-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine
SMILESC=C(COc1ccc(F)cc1F)/N=C/C=C(C)C
InChIInChI=1S/C14H15F2NO/c1-10(2)6-7-17-11(3)9-18-14-5-4-12(15)8-13(14)16/h4-8H,3,9H2,1-2H3/b17-7+
InChIKeyURVXQQQYPDNELV-REZTVBANSA-N
MW251.28 g/mol
LogP3.89
Rot. Bonds5

About N-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine

N-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine (PubChem CID 178171714) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine.

Molecular Properties

Compound NameN-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine
PubChem CID178171714
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC NameN-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine
SMILESC=C(COc1ccc(F)cc1F)/N=C/C=C(C)C
InChIInChI=1S/C14H15F2NO/c1-10(2)6-7-17-11(3)9-18-14-5-4-12(15)8-13(14)16/h4-8H,3,9H2,1-2H3/b17-7+
InChIKeyURVXQQQYPDNELV-REZTVBANSA-N
XLogP3.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066768
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide
CID 63704334
N-(2-acetamido-5-methylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 131890166
1-(3-bromo-4-methoxyphenyl)-2-(2,4-difluorophenoxy)ethanone
CID 43218884
CID 89282398
CID 89282398
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 107692680
[3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol
CID 107690695
3-fluoro-4-(2-methylprop-2-enoxy)benzonitrile
CID 103793496

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine?
The IUPAC name of N-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine (CID 178171714) is N-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine.
What is the SMILES notation for N-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine?
The canonical SMILES for N-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine is C=C(COc1ccc(F)cc1F)/N=C/C=C(C)C.
What is the InChIKey of N-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine?
The InChIKey is URVXQQQYPDNELV-REZTVBANSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-10(2)6-7-17-11(3)9-18-14-5-4-12(15)8-13(14)16/h4-8H,3,9H2,1-2H3/b17-7+.
What are the key properties of N-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine?
N-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine has a molecular weight of 251.28 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-difluorophenoxy)prop-1-en-2-yl]-3-methylbut-2-en-1-imine is sourced from PubChem (CID 178171714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).