N-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine

C19H24F3N — CID 21138608

IUPACN-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine
SMILESC=Nc1c(F)cc(CCC2CCC(CC/C=C/F)CC2)cc1F
InChIInChI=1S/C19H24F3N/c1-23-19-17(21)12-16(13-18(19)22)10-9-15-7-5-14(6-8-15)4-2-3-11-20/h3,11-15H,1-2,4-10H2/b11-3+
InChIKeyRFRPHBNOWOJNSH-QDEBKDIKSA-N
MW323.40 g/mol
LogP6.30
Rot. Bonds7

About N-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine

N-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine (PubChem CID 21138608) has the molecular formula C19H24F3N and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine.

Molecular Properties

Compound NameN-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine
PubChem CID21138608
Molecular FormulaC19H24F3N
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC NameN-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine
SMILESC=Nc1c(F)cc(CCC2CCC(CC/C=C/F)CC2)cc1F
InChIInChI=1S/C19H24F3N/c1-23-19-17(21)12-16(13-18(19)22)10-9-15-7-5-14(6-8-15)4-2-3-11-20/h3,11-15H,1-2,4-10H2/b11-3+
InChIKeyRFRPHBNOWOJNSH-QDEBKDIKSA-N
XLogP6.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine?
The IUPAC name of N-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine (CID 21138608) is N-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine.
What is the SMILES notation for N-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine?
The canonical SMILES for N-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine is C=Nc1c(F)cc(CCC2CCC(CC/C=C/F)CC2)cc1F.
What is the InChIKey of N-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine?
The InChIKey is RFRPHBNOWOJNSH-QDEBKDIKSA-N. The full InChI is InChI=1S/C19H24F3N/c1-23-19-17(21)12-16(13-18(19)22)10-9-15-7-5-14(6-8-15)4-2-3-11-20/h3,11-15H,1-2,4-10H2/b11-3+.
What are the key properties of N-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine?
N-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine has a molecular weight of 323.40 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-difluoro-4-[2-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]ethyl]phenyl]methanimine is sourced from PubChem (CID 21138608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).