N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine

C20H22F3NOS — CID 141101163

IUPACN-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine
SMILESCC(=NOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C20H22F3NOS/c1-14(19-8-5-11-26-19)24-25-13-15-9-10-17(16-6-3-2-4-7-16)18(12-15)20(21,22)23/h5,8-12,16H,2-4,6-7,13H2,1H3
InChIKeyFGYJGQISPWNETP-UHFFFAOYSA-N
MW381.46 g/mol
LogP6.76
Rot. Bonds5

About N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine

N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine (PubChem CID 141101163) has the molecular formula C20H22F3NOS and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine.

Molecular Properties

Compound NameN-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine
PubChem CID141101163
Molecular FormulaC20H22F3NOS
Molecular Weight381.46 g/mol
Exact Mass381.14
IUPAC NameN-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine
SMILESCC(=NOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C20H22F3NOS/c1-14(19-8-5-11-26-19)24-25-13-15-9-10-17(16-6-3-2-4-7-16)18(12-15)20(21,22)23/h5,8-12,16H,2-4,6-7,13H2,1H3
InChIKeyFGYJGQISPWNETP-UHFFFAOYSA-N
XLogP6.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine?
The IUPAC name of N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine (CID 141101163) is N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine.
What is the SMILES notation for N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine?
The canonical SMILES for N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine is CC(=NOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine?
The InChIKey is FGYJGQISPWNETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NOS/c1-14(19-8-5-11-26-19)24-25-13-15-9-10-17(16-6-3-2-4-7-16)18(12-15)20(21,22)23/h5,8-12,16H,2-4,6-7,13H2,1H3.
What are the key properties of N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine?
N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine has a molecular weight of 381.46 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethanimine is sourced from PubChem (CID 141101163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).