ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide

C16H19F6NO — CID 90927173

IUPACethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide
SMILESC=C.CC(C)CN(C(=O)C(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H15F6NO.C2H4/c1-9(2)8-21(10-6-4-3-5-7-10)12(22)11(13(15,16)17)14(18,19)20;1-2/h3-7,9,11H,8H2,1-2H3;1-2H2
InChIKeyUYWHJSMHVJXAEA-UHFFFAOYSA-N
MW355.32 g/mol
LogP5.22
Rot. Bonds4

About ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide

ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide (PubChem CID 90927173) has the molecular formula C16H19F6NO and a molecular weight of 355.32 g/mol. Its IUPAC name is ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Nameethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide
PubChem CID90927173
Molecular FormulaC16H19F6NO
Molecular Weight355.32 g/mol
Exact Mass355.14
IUPAC Nameethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide
SMILESC=C.CC(C)CN(C(=O)C(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H15F6NO.C2H4/c1-9(2)8-21(10-6-4-3-5-7-10)12(22)11(13(15,16)17)14(18,19)20;1-2/h3-7,9,11H,8H2,1-2H3;1-2H2
InChIKeyUYWHJSMHVJXAEA-UHFFFAOYSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide
CID 54008226
N-(2-methylpropyl)-N-phenylcarbamoyl chloride
CID 20551108
N-(cyanomethyl)-2-methyl-N-phenylpropanamide
CID 82126045
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
(4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium
CID 161236037
2-methyl-N-phenyl-N-(trifluoromethyl)propanamide
CID 56944922
tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
CID 102052832
N-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide
CID 163446116
2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid
CID 61199656
(2-fluoro-3-hydroxy-3-methylbutyl)-phenylcarbamic acid
CID 118890550
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
[(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid
CID 54211065

Frequently Asked Questions

What is the IUPAC name of ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide?
The IUPAC name of ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide (CID 90927173) is ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide is C=C.CC(C)CN(C(=O)C(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide?
The InChIKey is UYWHJSMHVJXAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6NO.C2H4/c1-9(2)8-21(10-6-4-3-5-7-10)12(22)11(13(15,16)17)14(18,19)20;1-2/h3-7,9,11H,8H2,1-2H3;1-2H2.
What are the key properties of ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide?
ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide has a molecular weight of 355.32 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 90927173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).