(E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine

C25H24F3N — CID 177398671

IUPAC(E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine
SMILESFC(F)(F)/C(=C\CCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H24F3N/c26-25(27,28)24(18-10-17-21-11-4-1-5-12-21)29(19-22-13-6-2-7-14-22)20-23-15-8-3-9-16-23/h1-9,11-16,18H,10,17,19-20H2/b24-18+
InChIKeyFURHFLCIABSRCO-HKOYGPOVSA-N
MW395.47 g/mol
LogP6.77
Rot. Bonds8

About (E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine

(E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine (PubChem CID 177398671) has the molecular formula C25H24F3N and a molecular weight of 395.47 g/mol. Its IUPAC name is (E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine.

Molecular Properties

Compound Name(E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine
PubChem CID177398671
Molecular FormulaC25H24F3N
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name(E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine
SMILESFC(F)(F)/C(=C\CCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H24F3N/c26-25(27,28)24(18-10-17-21-11-4-1-5-12-21)29(19-22-13-6-2-7-14-22)20-23-15-8-3-9-16-23/h1-9,11-16,18H,10,17,19-20H2/b24-18+
InChIKeyFURHFLCIABSRCO-HKOYGPOVSA-N
XLogP6.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine
CID 177429792
(5,5,5-trifluoro-4-methylpent-3-enyl)benzene
CID 131871830
(4-bromo-4-fluorobut-3-enyl)benzene
CID 71421113
4-chloropent-3-enylbenzene
CID 71383765
ethyl (E)-5-phenyl-2-(trifluoromethyl)pent-2-enoate
CID 143963074
5,5-difluoropent-4-enylbenzene
CID 15268524
[(E)-1-chloro-4-phenylbut-1-enyl]benzene
CID 22020271
[(Z)-1-fluoro-4-phenylbut-1-enyl]-triphenylgermane
CID 23237171
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
CID 60707749
[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene
CID 175788852
[(E)-4,5-dimethylhex-3-enyl]benzene
CID 14959713

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine?
The IUPAC name of (E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine (CID 177398671) is (E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine.
What is the SMILES notation for (E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine?
The canonical SMILES for (E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine is FC(F)(F)/C(=C\CCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine?
The InChIKey is FURHFLCIABSRCO-HKOYGPOVSA-N. The full InChI is InChI=1S/C25H24F3N/c26-25(27,28)24(18-10-17-21-11-4-1-5-12-21)29(19-22-13-6-2-7-14-22)20-23-15-8-3-9-16-23/h1-9,11-16,18H,10,17,19-20H2/b24-18+.
What are the key properties of (E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine?
(E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine has a molecular weight of 395.47 g/mol, XLogP of 6.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine is sourced from PubChem (CID 177398671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).