N-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine

C16H21F2N — CID 101419531

IUPACN-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine
SMILESCCC(F)(F)/C(=N\C1CCCCC1)c1ccccc1
InChIInChI=1S/C16H21F2N/c1-2-16(17,18)15(13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3/b19-15-
InChIKeyKNUVCYGCEDSPJJ-CYVLTUHYSA-N
MW265.35 g/mol
LogP4.85
Rot. Bonds4

About N-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine

N-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine (PubChem CID 101419531) has the molecular formula C16H21F2N and a molecular weight of 265.35 g/mol. Its IUPAC name is N-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine
PubChem CID101419531
Molecular FormulaC16H21F2N
Molecular Weight265.35 g/mol
Exact Mass265.16
IUPAC NameN-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine
SMILESCCC(F)(F)/C(=N\C1CCCCC1)c1ccccc1
InChIInChI=1S/C16H21F2N/c1-2-16(17,18)15(13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3/b19-15-
InChIKeyKNUVCYGCEDSPJJ-CYVLTUHYSA-N
XLogP4.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 98291
5-phenyl-3,4-dihydro-2H-pyrrole
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CID 576539
Decylamine, N-benzylidene-
CID 525554
5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58335726
1,2-Ethanediamine, N,N'-bis(1-phenylethylidene)-, (E,E)-
CID 11414406
N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
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Benzylideneoctylamine
CID 525558

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine?
The IUPAC name of N-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine (CID 101419531) is N-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine.
What is the SMILES notation for N-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine?
The canonical SMILES for N-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine is CCC(F)(F)/C(=N\C1CCCCC1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine?
The InChIKey is KNUVCYGCEDSPJJ-CYVLTUHYSA-N. The full InChI is InChI=1S/C16H21F2N/c1-2-16(17,18)15(13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3/b19-15-.
What are the key properties of N-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine?
N-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine has a molecular weight of 265.35 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2-difluoro-1-phenylbutan-1-imine is sourced from PubChem (CID 101419531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).