1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+)

C27H45F3N2U — CID 176922504

IUPAC1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+)
SMILESC=C(/C=C(/CC(F)F)C(C)CCC)N1CCNCC1.CC.C[C-](C)F.Cc1cc[c-]cc1.[U+2]
InChIInChI=1S/C15H26F2N2.C7H7.C3H6F.C2H6.U/c1-4-5-12(2)14(11-15(16)17)10-13(3)19-8-6-18-7-9-19;1-7-5-3-2-4-6-7;1-3(2)4;1-2;/h10,12,15,18H,3-9,11H2,1-2H3;3-6H,1H3;1-2H3;1-2H3;/q;2*-1;;+2/b14-10-;;;;
InChIKeyWTWBTAKPZVBEJT-DISYDDPCSA-N
MW692.69 g/mol
LogP7.77
Rot. Bonds7

About 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+)

1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+) (PubChem CID 176922504) has the molecular formula C27H45F3N2U and a molecular weight of 692.69 g/mol. Its IUPAC name is 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+).

Molecular Properties

Compound Name1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+)
PubChem CID176922504
Molecular FormulaC27H45F3N2U
Molecular Weight692.69 g/mol
Exact Mass692.40
IUPAC Name1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+)
SMILESC=C(/C=C(/CC(F)F)C(C)CCC)N1CCNCC1.CC.C[C-](C)F.Cc1cc[c-]cc1.[U+2]
InChIInChI=1S/C15H26F2N2.C7H7.C3H6F.C2H6.U/c1-4-5-12(2)14(11-15(16)17)10-13(3)19-8-6-18-7-9-19;1-7-5-3-2-4-6-7;1-3(2)4;1-2;/h10,12,15,18H,3-9,11H2,1-2H3;3-6H,1H3;1-2H3;1-2H3;/q;2*-1;;+2/b14-10-;;;;
InChIKeyWTWBTAKPZVBEJT-DISYDDPCSA-N
XLogP7.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.69
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-[(3E,5Z)-4-(1,1-difluoroethyl)hepta-1,3,5-trien-2-yl]-3-[(Z)-prop-1-enyl]-4-propylhept-2-en-1-amine
CID 134293638
Ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 142167043
1-(4,4-difluorocyclohexyl)-N-[(5-piperazin-1-yl-2,3,4,7-tetrahydro-1H-cyclohepta[c]pyridin-3-yl)methyl]methanamine
CID 142416870
N'-[(4S)-4-[(Z)-4-cyclohexa-1,5-dien-1-yl-2-(2,2-difluoroethyl)-4-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]iminobut-2-enyl]cyclohexa-1,5-dien-1-yl]-N'-ethyl-N-methylethane-1,2-diamine
CID 163248400
N'-[(4S)-4-[(Z)-2-(2,2-difluoroethyl)but-2-enyl]cyclohexa-1,5-dien-1-yl]-N'-ethyl-N-methylethane-1,2-diamine
CID 163248597
1-[(3E,5Z)-6-(2,2-difluoroethyl)-7-methylnona-3,5-dien-4-yl]piperazine
CID 176921275
1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine
CID 176922505
1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine
CID 143071755
1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane
CID 144965155
butane;N'-[(4S)-4-[(Z)-2-(2,2-difluoroethyl)but-2-enyl]cyclohexa-1,5-dien-1-yl]-N'-ethyl-N-methylethane-1,2-diamine;ethane;N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]methanimine;fluoromethane;methanamine;2-methylcyclohexa-1,3-diene
CID 163248595
1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine
CID 102091182
(3Z,5Z)-5-(4-butylpiperazin-1-yl)-N-heptyl-6,8-dimethylnona-1,3,5-trien-2-amine
CID 143071721

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+)?
The IUPAC name of 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+) (CID 176922504) is 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+).
What is the SMILES notation for 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+)?
The canonical SMILES for 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+) is C=C(/C=C(/CC(F)F)C(C)CCC)N1CCNCC1.CC.C[C-](C)F.Cc1cc[c-]cc1.[U+2].
What is the InChIKey of 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+)?
The InChIKey is WTWBTAKPZVBEJT-DISYDDPCSA-N. The full InChI is InChI=1S/C15H26F2N2.C7H7.C3H6F.C2H6.U/c1-4-5-12(2)14(11-15(16)17)10-13(3)19-8-6-18-7-9-19;1-7-5-3-2-4-6-7;1-3(2)4;1-2;/h10,12,15,18H,3-9,11H2,1-2H3;3-6H,1H3;1-2H3;1-2H3;/q;2*-1;;+2/b14-10-;;;;.
What are the key properties of 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+)?
1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+) has a molecular weight of 692.69 g/mol, XLogP of 7.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+) is sourced from PubChem (CID 176922504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).