[4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine

C18H25F2N — CID 90927824

IUPAC[4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine
SMILES[H]/N=C/C1CCC(Cc2ccc(C(C)(C)C)c(F)c2F)CC1
InChIInChI=1S/C18H25F2N/c1-18(2,3)15-9-8-14(16(19)17(15)20)10-12-4-6-13(11-21)7-5-12/h8-9,11-13,21H,4-7,10H2,1-3H3/b21-11+
InChIKeyRAJMMXRTSBIDBC-SRZZPIQSSA-N
MW293.40 g/mol
LogP5.26
Rot. Bonds3

About [4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine

[4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine (PubChem CID 90927824) has the molecular formula C18H25F2N and a molecular weight of 293.40 g/mol. Its IUPAC name is [4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine.

Molecular Properties

Compound Name[4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine
PubChem CID90927824
Molecular FormulaC18H25F2N
Molecular Weight293.40 g/mol
Exact Mass293.20
IUPAC Name[4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine
SMILES[H]/N=C/C1CCC(Cc2ccc(C(C)(C)C)c(F)c2F)CC1
InChIInChI=1S/C18H25F2N/c1-18(2,3)15-9-8-14(16(19)17(15)20)10-12-4-6-13(11-21)7-5-12/h8-9,11-13,21H,4-7,10H2,1-3H3/b21-11+
InChIKeyRAJMMXRTSBIDBC-SRZZPIQSSA-N
XLogP5.26
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.40
LogP ≤ 55.26
H-Bond Donors ≤ 51
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 [4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine?
The IUPAC name of [4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine (CID 90927824) is [4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine.
What is the SMILES notation for [4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine?
The canonical SMILES for [4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine is [H]/N=C/C1CCC(Cc2ccc(C(C)(C)C)c(F)c2F)CC1.
What is the InChIKey of [4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine?
The InChIKey is RAJMMXRTSBIDBC-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H25F2N/c1-18(2,3)15-9-8-14(16(19)17(15)20)10-12-4-6-13(11-21)7-5-12/h8-9,11-13,21H,4-7,10H2,1-3H3/b21-11+.
What are the key properties of [4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine?
[4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine has a molecular weight of 293.40 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-tert-butyl-2,3-difluorophenyl)methyl]cyclohexyl]methanimine is sourced from PubChem (CID 90927824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).