N-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide

C17H20Cl2F3NO2 — CID 11079835

IUPACN-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide
SMILESC=CC[C@@](C)(CC)O[C@@H](CNC(=O)C(F)(F)F)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H20Cl2F3NO2/c1-4-9-16(3,5-2)25-13(10-23-15(24)17(20,21)22)14-11(18)7-6-8-12(14)19/h4,6-8,13H,1,5,9-10H2,2-3H3,(H,23,24)/t13-,16+/m0/s1
InChIKeyYYCHDHHTYXBUPM-XJKSGUPXSA-N
MW398.25 g/mol
LogP5.47
Rot. Bonds8

About N-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide

N-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide (PubChem CID 11079835) has the molecular formula C17H20Cl2F3NO2 and a molecular weight of 398.25 g/mol. Its IUPAC name is N-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide
PubChem CID11079835
Molecular FormulaC17H20Cl2F3NO2
Molecular Weight398.25 g/mol
Exact Mass397.08
IUPAC NameN-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide
SMILESC=CC[C@@](C)(CC)O[C@@H](CNC(=O)C(F)(F)F)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H20Cl2F3NO2/c1-4-9-16(3,5-2)25-13(10-23-15(24)17(20,21)22)14-11(18)7-6-8-12(14)19/h4,6-8,13H,1,5,9-10H2,2-3H3,(H,23,24)/t13-,16+/m0/s1
InChIKeyYYCHDHHTYXBUPM-XJKSGUPXSA-N
XLogP5.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.25
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[(1R,2R)-2-[(3S)-3-methylhex-5-en-3-yl]oxy-1,2-diphenylethyl]acetamide
CID 102123202
N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane
CID 91382909
2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide
CID 67677744
N-(2,2-diphenylethyl)-2,2,2-trifluoroacetamide
CID 59644379
1-(2,6-dichlorophenyl)-N-ethylbut-3-en-1-amine
CID 115814034
N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108932586
N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide
CID 71993870
ethyl N-[(2,6-dichlorophenyl)-(ethoxycarbonylamino)methyl]carbamate
CID 124926176
2-amino-N-[2-(2,6-dichlorophenyl)propyl]acetamide
CID 119315000
2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide
CID 54390814
2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide
CID 115190376
3-[3-chloro-2-(1-fluoroethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117400631

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide (CID 11079835) is N-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide is C=CC[C@@](C)(CC)O[C@@H](CNC(=O)C(F)(F)F)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide?
The InChIKey is YYCHDHHTYXBUPM-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H20Cl2F3NO2/c1-4-9-16(3,5-2)25-13(10-23-15(24)17(20,21)22)14-11(18)7-6-8-12(14)19/h4,6-8,13H,1,5,9-10H2,2-3H3,(H,23,24)/t13-,16+/m0/s1.
What are the key properties of N-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide?
N-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide has a molecular weight of 398.25 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,6-dichlorophenyl)-2-[(3R)-3-methylhex-5-en-3-yl]oxyethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11079835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).