N-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide

C22H34F3NO — CID 101350532

IUPACN-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide
SMILESC=CCC(CCCCC)N(C(=O)C(F)(F)F)C(C=C)(C=C)CCC/C=C\C
InChIInChI=1S/C22H34F3NO/c1-6-11-13-15-18-21(9-4,10-5)26(20(27)22(23,24)25)19(16-8-3)17-14-12-7-2/h6,8-11,19H,3-5,7,12-18H2,1-2H3/b11-6-
InChIKeyBZXJRJNBXQJKBE-WDZFZDKYSA-N
MW385.51 g/mol
LogP6.76
Rot. Bonds14

About N-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide

N-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide (PubChem CID 101350532) has the molecular formula C22H34F3NO and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide.

Molecular Properties

Compound NameN-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide
PubChem CID101350532
Molecular FormulaC22H34F3NO
Molecular Weight385.51 g/mol
Exact Mass385.26
IUPAC NameN-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide
SMILESC=CCC(CCCCC)N(C(=O)C(F)(F)F)C(C=C)(C=C)CCC/C=C\C
InChIInChI=1S/C22H34F3NO/c1-6-11-13-15-18-21(9-4,10-5)26(20(27)22(23,24)25)19(16-8-3)17-14-12-7-2/h6,8-11,19H,3-5,7,12-18H2,1-2H3/b11-6-
InChIKeyBZXJRJNBXQJKBE-WDZFZDKYSA-N
XLogP6.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide
CID 163600258
N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide
CID 11187880
2,2,2-Trifluoro-1-(2-pentyl-1-azaspiro[5.5]undeca-4,10-dien-1-yl)ethanone
CID 11771444
N-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide
CID 12032480
1-(1-Azaspiro[5.5]undeca-4,10-dien-1-yl)-2,2,2-trifluoroethanone
CID 12032481
1-[2,2-Bis(prop-2-enyl)-azacyclotridec-1-yl]-2,2,2-trifluoroethanone
CID 12115265
1-(6-Azaspiro[4.12]heptadec-2-en-6-yl)-2,2,2-trifluoroethanone
CID 12115270
1-[5-ethenyl-3-[(E)-hex-1-enyl]-2,2-bis(trifluoromethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 101046679
1-(6-Ethenyl-6-pent-4-enyl-2-pentyl-2,3-dihydropyridin-1-yl)-2,2,2-trifluoroethanone
CID 101350533
1-[2,2-Bis(prop-2-enyl)-azacyclotetradec-1-yl]-2,2,2-trifluoroethanone
CID 101402501
1-(6-Azaspiro[4.13]octadec-2-en-6-yl)-2,2,2-trifluoroethanone
CID 101402502
1-[(6S)-6-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoro-2,2-dimethylbutan-1-one
CID 153217477

Frequently Asked Questions

What is the IUPAC name of N-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide?
The IUPAC name of N-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide (CID 101350532) is N-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide.
What is the SMILES notation for N-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide?
The canonical SMILES for N-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide is C=CCC(CCCCC)N(C(=O)C(F)(F)F)C(C=C)(C=C)CCC/C=C\C.
What is the InChIKey of N-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide?
The InChIKey is BZXJRJNBXQJKBE-WDZFZDKYSA-N. The full InChI is InChI=1S/C22H34F3NO/c1-6-11-13-15-18-21(9-4,10-5)26(20(27)22(23,24)25)19(16-8-3)17-14-12-7-2/h6,8-11,19H,3-5,7,12-18H2,1-2H3/b11-6-.
What are the key properties of N-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide?
N-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide has a molecular weight of 385.51 g/mol, XLogP of 6.76, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7Z)-3-ethenylnona-1,7-dien-3-yl]-2,2,2-trifluoro-N-non-1-en-4-ylacetamide is sourced from PubChem (CID 101350532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).