N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine

C24H21F2N — CID 102223674

IUPACN-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine
SMILESC=C(C)CC(N=C(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C24H21F2N/c1-17(2)15-23(20-13-14-21(25)22(26)16-20)27-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,16,23H,1,15H2,2H3
InChIKeyMCEFLZCYAUKCQE-UHFFFAOYSA-N
MW361.44 g/mol
LogP6.51
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine

N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine (PubChem CID 102223674) has the molecular formula C24H21F2N and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine
PubChem CID102223674
Molecular FormulaC24H21F2N
Molecular Weight361.44 g/mol
Exact Mass361.16
IUPAC NameN-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine
SMILESC=C(C)CC(N=C(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C24H21F2N/c1-17(2)15-23(20-13-14-21(25)22(26)16-20)27-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,16,23H,1,15H2,2H3
InChIKeyMCEFLZCYAUKCQE-UHFFFAOYSA-N
XLogP6.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine
CID 102223669
tert-butyl (2S)-2-(benzhydrylideneamino)-4-methylpent-4-enoate
CID 11360059
tert-butyl 2-(benzhydrylideneamino)-4-methylpent-4-enoate
CID 11725386
methyl 3-(benzhydrylideneamino)-3-(4-tert-butylphenyl)propanoate
CID 164888029
2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone
CID 22004300
N-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine
CID 176907528
2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate
CID 101401204
N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine
CID 145492710
1-(3-fluoro-4-methylphenyl)-3-methylbut-3-en-1-ol
CID 79177359
N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
CID 43000604
1-(3,4-difluorophenyl)-1-phenylbutan-2-one
CID 167542388
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-fluorophenol;hydrochloride
CID 171198768

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine (CID 102223674) is N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine is C=C(C)CC(N=C(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine?
The InChIKey is MCEFLZCYAUKCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N/c1-17(2)15-23(20-13-14-21(25)22(26)16-20)27-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,16,23H,1,15H2,2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine?
N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine has a molecular weight of 361.44 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 102223674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).