difluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+)

C29H44F6N2U — CID 167493006

IUPACdifluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+)
SMILESCC/C=C\C(F)=C(C)\C(=N/C/C=C(\C)N)c1[c-]cc(C(F)(F)F)cc1.CCC.CCC(C)CC.F[CH-]F.[U+2]
InChIInChI=1S/C19H21F4N2.C6H14.C3H8.CHF2.U/c1-4-5-6-17(20)14(3)18(25-12-11-13(2)24)15-7-9-16(10-8-15)19(21,22)23;1-4-6(3)5-2;1-3-2;2-1-3;/h5-7,9-11H,4,12,24H2,1-3H3;6H,4-5H2,1-3H3;3H2,1-2H3;1H;/q-1;;;-1;+2/b6-5-,13-11+,17-14-,25-18+;;;;
InChIKeyKVJKIZPHWVMLLS-GIBRZLNKSA-N
MW772.70 g/mol
LogP10.27
Rot. Bonds8

About difluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+)

difluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+) (PubChem CID 167493006) has the molecular formula C29H44F6N2U and a molecular weight of 772.70 g/mol. Its IUPAC name is difluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+).

Molecular Properties

Compound Namedifluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+)
PubChem CID167493006
Molecular FormulaC29H44F6N2U
Molecular Weight772.70 g/mol
Exact Mass772.39
IUPAC Namedifluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+)
SMILESCC/C=C\C(F)=C(C)\C(=N/C/C=C(\C)N)c1[c-]cc(C(F)(F)F)cc1.CCC.CCC(C)CC.F[CH-]F.[U+2]
InChIInChI=1S/C19H21F4N2.C6H14.C3H8.CHF2.U/c1-4-5-6-17(20)14(3)18(25-12-11-13(2)24)15-7-9-16(10-8-15)19(21,22)23;1-4-6(3)5-2;1-3-2;2-1-3;/h5-7,9-11H,4,12,24H2,1-3H3;6H,4-5H2,1-3H3;3H2,1-2H3;1H;/q-1;;;-1;+2/b6-5-,13-11+,17-14-,25-18+;;;;
InChIKeyKVJKIZPHWVMLLS-GIBRZLNKSA-N
XLogP10.27
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.70
LogP ≤ 510.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of difluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+)?
The IUPAC name of difluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+) (CID 167493006) is difluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+).
What is the SMILES notation for difluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+)?
The canonical SMILES for difluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+) is CC/C=C\C(F)=C(C)\C(=N/C/C=C(\C)N)c1[c-]cc(C(F)(F)F)cc1.CCC.CCC(C)CC.F[CH-]F.[U+2].
What is the InChIKey of difluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+)?
The InChIKey is KVJKIZPHWVMLLS-GIBRZLNKSA-N. The full InChI is InChI=1S/C19H21F4N2.C6H14.C3H8.CHF2.U/c1-4-5-6-17(20)14(3)18(25-12-11-13(2)24)15-7-9-16(10-8-15)19(21,22)23;1-4-6(3)5-2;1-3-2;2-1-3;/h5-7,9-11H,4,12,24H2,1-3H3;6H,4-5H2,1-3H3;3H2,1-2H3;1H;/q-1;;;-1;+2/b6-5-,13-11+,17-14-,25-18+;;;;.
What are the key properties of difluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+)?
difluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+) has a molecular weight of 772.70 g/mol, XLogP of 10.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+) is sourced from PubChem (CID 167493006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).