4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol

C15H20F3NOS — CID 11823339

IUPAC4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol
SMILESCC(O)(C/C(=N\C1CCCCC1)c1cccs1)C(F)(F)F
InChIInChI=1S/C15H20F3NOS/c1-14(20,15(16,17)18)10-12(13-8-5-9-21-13)19-11-6-3-2-4-7-11/h5,8-9,11,20H,2-4,6-7,10H2,1H3/b19-12+
InChIKeyGKRICYQBARJCPC-XDHOZWIPSA-N
MW319.39 g/mol
LogP4.57
Rot. Bonds4

About 4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol

4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol (PubChem CID 11823339) has the molecular formula C15H20F3NOS and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol.

Molecular Properties

Compound Name4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol
PubChem CID11823339
Molecular FormulaC15H20F3NOS
Molecular Weight319.39 g/mol
Exact Mass319.12
IUPAC Name4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol
SMILESCC(O)(C/C(=N\C1CCCCC1)c1cccs1)C(F)(F)F
InChIInChI=1S/C15H20F3NOS/c1-14(20,15(16,17)18)10-12(13-8-5-9-21-13)19-11-6-3-2-4-7-11/h5,8-9,11,20H,2-4,6-7,10H2,1H3/b19-12+
InChIKeyGKRICYQBARJCPC-XDHOZWIPSA-N
XLogP4.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-3-hydroxy-3-methyl-1-thiophen-2-ylbutan-1-one
CID 10922579
N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide
CID 3165867
N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide
CID 61363510
2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one
CID 116593132
1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513895
2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62370226
2-methylbut-3-yn-2-yl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate
CID 15752897
N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 60722498
1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine
CID 116514133
2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine
CID 62370058
1-cyclohexyl-1-(2-methylphenyl)ethanol
CID 43810036
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-thiophen-2-ylethanone
CID 43228899

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol?
The IUPAC name of 4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol (CID 11823339) is 4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol.
What is the SMILES notation for 4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol?
The canonical SMILES for 4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol is CC(O)(C/C(=N\C1CCCCC1)c1cccs1)C(F)(F)F.
What is the InChIKey of 4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol?
The InChIKey is GKRICYQBARJCPC-XDHOZWIPSA-N. The full InChI is InChI=1S/C15H20F3NOS/c1-14(20,15(16,17)18)10-12(13-8-5-9-21-13)19-11-6-3-2-4-7-11/h5,8-9,11,20H,2-4,6-7,10H2,1H3/b19-12+.
What are the key properties of 4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol?
4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol has a molecular weight of 319.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol is sourced from PubChem (CID 11823339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).