N-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine

C19H23F4N — CID 21138612

IUPACN-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine
SMILESC=Nc1c(F)cc(CCC2CCC(CCC=C(F)F)CC2)cc1F
InChIInChI=1S/C19H23F4N/c1-24-19-16(20)11-15(12-17(19)21)10-9-14-7-5-13(6-8-14)3-2-4-18(22)23/h4,11-14H,1-3,5-10H2
InChIKeyTZPPSBJVJKNMLC-UHFFFAOYSA-N
MW341.39 g/mol
LogP6.60
Rot. Bonds7

About N-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine

N-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine (PubChem CID 21138612) has the molecular formula C19H23F4N and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine.

Molecular Properties

Compound NameN-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine
PubChem CID21138612
Molecular FormulaC19H23F4N
Molecular Weight341.39 g/mol
Exact Mass341.18
IUPAC NameN-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine
SMILESC=Nc1c(F)cc(CCC2CCC(CCC=C(F)F)CC2)cc1F
InChIInChI=1S/C19H23F4N/c1-24-19-16(20)11-15(12-17(19)21)10-9-14-7-5-13(6-8-14)3-2-4-18(22)23/h4,11-14H,1-3,5-10H2
InChIKeyTZPPSBJVJKNMLC-UHFFFAOYSA-N
XLogP6.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.39
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine?
The IUPAC name of N-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine (CID 21138612) is N-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine.
What is the SMILES notation for N-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine?
The canonical SMILES for N-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine is C=Nc1c(F)cc(CCC2CCC(CCC=C(F)F)CC2)cc1F.
What is the InChIKey of N-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine?
The InChIKey is TZPPSBJVJKNMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F4N/c1-24-19-16(20)11-15(12-17(19)21)10-9-14-7-5-13(6-8-14)3-2-4-18(22)23/h4,11-14H,1-3,5-10H2.
What are the key properties of N-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine?
N-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine has a molecular weight of 341.39 g/mol, XLogP of 6.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2,6-difluorophenyl]methanimine is sourced from PubChem (CID 21138612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).