N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide

C11H14F3NO — CID 143763160

IUPACN-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide
SMILESC=C(C)/C(=C\C(=CC)NC(C)=O)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-5-9(15-8(4)16)6-10(7(2)3)11(12,13)14/h5-6H,2H2,1,3-4H3,(H,15,16)/b9-5?,10-6+
InChIKeyKFPCJIDEPKNXPI-HYAZYBELSA-N
MW233.23 g/mol
LogP3.09
Rot. Bonds3

About N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide

N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide (PubChem CID 143763160) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide
PubChem CID143763160
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide
SMILESC=C(C)/C(=C\C(=CC)NC(C)=O)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-5-9(15-8(4)16)6-10(7(2)3)11(12,13)14/h5-6H,2H2,1,3-4H3,(H,15,16)/b9-5?,10-6+
InChIKeyKFPCJIDEPKNXPI-HYAZYBELSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.09
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

(1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine
CID 143763167
(3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene
CID 145087185
N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide
CID 122661471
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene
CID 123321601
1,1,1-trifluoro-3-methylbut-3-en-2-one
CID 15366138
(3E)-2-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-3-ol
CID 143740716
2-methylprop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 157277340
(E)-2-methylidene-3-(trifluoromethyl)pent-3-enal
CID 143603950
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide
CID 144714504
N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide
CID 142119428
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
CID 130312596

Frequently Asked Questions

What is the IUPAC name of N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide?
The IUPAC name of N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide (CID 143763160) is N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide.
What is the SMILES notation for N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide?
The canonical SMILES for N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide is C=C(C)/C(=C\C(=CC)NC(C)=O)C(F)(F)F.
What is the InChIKey of N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide?
The InChIKey is KFPCJIDEPKNXPI-HYAZYBELSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-5-9(15-8(4)16)6-10(7(2)3)11(12,13)14/h5-6H,2H2,1,3-4H3,(H,15,16)/b9-5?,10-6+.
What are the key properties of N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide?
N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide has a molecular weight of 233.23 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide is sourced from PubChem (CID 143763160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).