ethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide

C11H17F4NO — CID 166470367

IUPACethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide
SMILESC=C(F)/C=C(\C)CC(=O)NCC(F)(F)F.CC
InChIInChI=1S/C9H11F4NO.C2H6/c1-6(3-7(2)10)4-8(15)14-5-9(11,12)13;1-2/h3H,2,4-5H2,1H3,(H,14,15);1-2H3/b6-3+;
InChIKeyZOJVLRBAYHPGKI-ZIKNSQGESA-N
MW255.25 g/mol
LogP3.51
Rot. Bonds4

About ethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide

ethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide (PubChem CID 166470367) has the molecular formula C11H17F4NO and a molecular weight of 255.25 g/mol. Its IUPAC name is ethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide.

Molecular Properties

Compound Nameethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide
PubChem CID166470367
Molecular FormulaC11H17F4NO
Molecular Weight255.25 g/mol
Exact Mass255.12
IUPAC Nameethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide
SMILESC=C(F)/C=C(\C)CC(=O)NCC(F)(F)F.CC
InChIInChI=1S/C9H11F4NO.C2H6/c1-6(3-7(2)10)4-8(15)14-5-9(11,12)13;1-2/h3H,2,4-5H2,1H3,(H,14,15);1-2H3/b6-3+;
InChIKeyZOJVLRBAYHPGKI-ZIKNSQGESA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-{[1-(3,3,4,4,4-pentafluorobutyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}acetamide
CID 50962805
(2E,4E)-2-ethenyl-5-methyl-N-(2,2,2-trifluoroethyl)hepta-2,4-dienamide
CID 88889292
5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide
CID 89214736
3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide
CID 123441843
3-fluoro-2-(1-fluoroethyl)-N-prop-2-enylbut-2-enamide
CID 123599480
4-(difluoromethyl)-2-ethyl-N,5-dimethylhepta-2,4-dienamide
CID 123964128
2-methyl-N-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-3,5-dien-2-yl]propanamide
CID 126663489
(4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide
CID 130374426
(Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide
CID 135268278
ethane;N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-2,2,2-trifluoroacetamide;fluoromethane
CID 141953531
N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 142221799
ethane;N-[(2S,3E,4Z)-3-ethylidene-6-methylhepta-4,6-dien-2-yl]-2,2,2-trifluoroacetamide
CID 142861213

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide?
The IUPAC name of ethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide (CID 166470367) is ethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide.
What is the SMILES notation for ethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide?
The canonical SMILES for ethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide is C=C(F)/C=C(\C)CC(=O)NCC(F)(F)F.CC.
What is the InChIKey of ethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide?
The InChIKey is ZOJVLRBAYHPGKI-ZIKNSQGESA-N. The full InChI is InChI=1S/C9H11F4NO.C2H6/c1-6(3-7(2)10)4-8(15)14-5-9(11,12)13;1-2/h3H,2,4-5H2,1H3,(H,14,15);1-2H3/b6-3+;.
What are the key properties of ethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide?
ethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide has a molecular weight of 255.25 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide is sourced from PubChem (CID 166470367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).