(E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine

C18H26F3N — CID 24862408

IUPAC(E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine
SMILESCCCCN(CCCC)C(/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H26F3N/c1-3-5-14-22(15-6-4-2)17(18(19,20)21)13-12-16-10-8-7-9-11-16/h7-13,17H,3-6,14-15H2,1-2H3/b13-12+
InChIKeyQYGXOTCDGGEFEF-OUKQBFOZSA-N
MW313.41 g/mol
LogP5.53
Rot. Bonds9

About (E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine

(E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine (PubChem CID 24862408) has the molecular formula C18H26F3N and a molecular weight of 313.41 g/mol. Its IUPAC name is (E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine
PubChem CID24862408
Molecular FormulaC18H26F3N
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name(E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine
SMILESCCCCN(CCCC)C(/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H26F3N/c1-3-5-14-22(15-6-4-2)17(18(19,20)21)13-12-16-10-8-7-9-11-16/h7-13,17H,3-6,14-15H2,1-2H3/b13-12+
InChIKeyQYGXOTCDGGEFEF-OUKQBFOZSA-N
XLogP5.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.41
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2-(dibutylamino)-4-phenylbut-3-enal
CID 87921406
(Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine
CID 82041821
[(E)-3-methylhept-1-enyl]benzene
CID 12949923
N-heptadecyl-N-(2-phenylethenyl)heptadecan-1-amine
CID 139723888
N-nonyl-N-(2-phenylethenyl)nonan-1-amine
CID 139723314
N',N'-dibutyl-N-[(E)-3-phenylprop-2-enyl]propane-1,3-diamine;dihydrochloride
CID 17214509
2-[(E)-1-hydroxy-3-phenylprop-2-enyl]octanoic acid
CID 146374482
(E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one
CID 11242590
[(Z)-3-butan-2-ylnon-1-enyl]benzene
CID 143094188
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
pentan-1-ol;(E)-stilbene
CID 172553874
N'-[amino(phenyl)methyl]-N'-butylethane-1,2-diamine
CID 146614516

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine?
The IUPAC name of (E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine (CID 24862408) is (E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine.
What is the SMILES notation for (E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine?
The canonical SMILES for (E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine is CCCCN(CCCC)C(/C=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of (E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine?
The InChIKey is QYGXOTCDGGEFEF-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H26F3N/c1-3-5-14-22(15-6-4-2)17(18(19,20)21)13-12-16-10-8-7-9-11-16/h7-13,17H,3-6,14-15H2,1-2H3/b13-12+.
What are the key properties of (E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine?
(E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine has a molecular weight of 313.41 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine is sourced from PubChem (CID 24862408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).