2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide

C18H15F6NO2 — CID 134950062

IUPAC2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide
SMILESCc1ccc([C@H](NC(=O)C(F)(F)F)[C@](O)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C18H15F6NO2/c1-11-7-9-12(10-8-11)14(25-15(26)17(19,20)21)16(27,18(22,23)24)13-5-3-2-4-6-13/h2-10,14,27H,1H3,(H,25,26)/t14-,16+/m0/s1
InChIKeyORUWBSMKWQFIDB-GOEBONIOSA-N
MW391.31 g/mol
LogP4.16
Rot. Bonds4

About 2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide

2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide (PubChem CID 134950062) has the molecular formula C18H15F6NO2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide
PubChem CID134950062
Molecular FormulaC18H15F6NO2
Molecular Weight391.31 g/mol
Exact Mass391.10
IUPAC Name2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide
SMILESCc1ccc([C@H](NC(=O)C(F)(F)F)[C@](O)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C18H15F6NO2/c1-11-7-9-12(10-8-11)14(25-15(26)17(19,20)21)16(27,18(22,23)24)13-5-3-2-4-6-13/h2-10,14,27H,1H3,(H,25,26)/t14-,16+/m0/s1
InChIKeyORUWBSMKWQFIDB-GOEBONIOSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide with MolForge

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Related Compounds

SR1555
CID 71470549
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1-(4-Fluorophenyl)-2-[(4-methylbenzyl)amino]-1-phenyl-1-ethanol
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N-(2-hydroxy-1,2-diphenylethyl)acetamide
CID 5151076
N-(3-Hydroxy-1,3,3-triphenylpropyl)ethanimidic acid
CID 26746
2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
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N1-(4-fluorobenzyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764243
1-Benzyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
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3,4-difluoro-N-(2-hydroxy-2-phenylpropyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide (CID 134950062) is 2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide is Cc1ccc([C@H](NC(=O)C(F)(F)F)[C@](O)(c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide?
The InChIKey is ORUWBSMKWQFIDB-GOEBONIOSA-N. The full InChI is InChI=1S/C18H15F6NO2/c1-11-7-9-12(10-8-11)14(25-15(26)17(19,20)21)16(27,18(22,23)24)13-5-3-2-4-6-13/h2-10,14,27H,1H3,(H,25,26)/t14-,16+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide?
2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide has a molecular weight of 391.31 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide is sourced from PubChem (CID 134950062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).