(Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one

C28H30F6N2O2 — CID 129293830

IUPAC(Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one
SMILESCCN(/C=C(\C(=O)C(F)(F)F)c1ccccc1)CCCCN(/C=C(\C(=O)C(F)(F)F)c1ccccc1)CC
InChIInChI=1S/C28H30F6N2O2/c1-3-35(19-23(25(37)27(29,30)31)21-13-7-5-8-14-21)17-11-12-18-36(4-2)20-24(26(38)28(32,33)34)22-15-9-6-10-16-22/h5-10,13-16,19-20H,3-4,11-12,17-18H2,1-2H3/b23-19-,24-20-
InChIKeyGOAVYLPYPDMNMA-SRPFLQSCSA-N
MW540.55 g/mol
LogP6.76
Rot. Bonds13

About (Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one

(Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one (PubChem CID 129293830) has the molecular formula C28H30F6N2O2 and a molecular weight of 540.55 g/mol. Its IUPAC name is (Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one
PubChem CID129293830
Molecular FormulaC28H30F6N2O2
Molecular Weight540.55 g/mol
Exact Mass540.22
IUPAC Name(Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one
SMILESCCN(/C=C(\C(=O)C(F)(F)F)c1ccccc1)CCCCN(/C=C(\C(=O)C(F)(F)F)c1ccccc1)CC
InChIInChI=1S/C28H30F6N2O2/c1-3-35(19-23(25(37)27(29,30)31)21-13-7-5-8-14-21)17-11-12-18-36(4-2)20-24(26(38)28(32,33)34)22-15-9-6-10-16-22/h5-10,13-16,19-20H,3-4,11-12,17-18H2,1-2H3/b23-19-,24-20-
InChIKeyGOAVYLPYPDMNMA-SRPFLQSCSA-N
XLogP6.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.55
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one with MolForge

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Related Compounds

(Z)-4-[ethyl-[4-[ethyl-[(E)-2-phenylprop-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 134192750
(E)-4-(dimethylamino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 132542566
(Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 129293885
(Z)-4-(N-ethyl-4-propan-2-ylanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 134192725
2-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]ethyl 2,3-dihydro-1H-indole-5-carboxylate
CID 129294071
(E)-4-[2,3-dihydro-1H-indol-5-ylmethyl(ethyl)amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 129293857
(1E,8E)-1,9-bis(N-ethylanilino)-4,4,6,6-tetrafluoro-5-methylidene-2,8-diphenylnona-1,8-diene-3,7-dione;propane
CID 145337069
(E)-4-(diethylamino)-1-methoxy-3-phenylbut-3-en-2-one
CID 70608998
3,3,3-trifluoro-1-phenylpropane-1,2-dione;hydrate
CID 2781162
4-(dimethylamino)-1,1,1-trifluoro-3-pyridin-4-ylbut-3-en-2-one
CID 70074758
(E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide
CID 129293986
(Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one
CID 129293911

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one?
The IUPAC name of (Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one (CID 129293830) is (Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one.
What is the SMILES notation for (Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one?
The canonical SMILES for (Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one is CCN(/C=C(\C(=O)C(F)(F)F)c1ccccc1)CCCCN(/C=C(\C(=O)C(F)(F)F)c1ccccc1)CC.
What is the InChIKey of (Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one?
The InChIKey is GOAVYLPYPDMNMA-SRPFLQSCSA-N. The full InChI is InChI=1S/C28H30F6N2O2/c1-3-35(19-23(25(37)27(29,30)31)21-13-7-5-8-14-21)17-11-12-18-36(4-2)20-24(26(38)28(32,33)34)22-15-9-6-10-16-22/h5-10,13-16,19-20H,3-4,11-12,17-18H2,1-2H3/b23-19-,24-20-.
What are the key properties of (Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one?
(Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one has a molecular weight of 540.55 g/mol, XLogP of 6.76, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one is sourced from PubChem (CID 129293830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).