(2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete

C19H26F3N — CID 155350158

IUPAC(2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete
SMILESC=C/C=C\C(=C(/C=C)C(F)(F)F)[C@@]1(CCC)NC=C1[C@H](C)CC
InChIInChI=1S/C19H26F3N/c1-6-10-11-16(15(9-4)19(20,21)22)18(12-7-2)17(13-23-18)14(5)8-3/h6,9-11,13-14,23H,1,4,7-8,12H2,2-3,5H3/b11-10-,16-15-/t14-,18-/m1/s1
InChIKeyZVKXQISDOLFDRQ-KEDRZQIJSA-N
MW325.42 g/mol
LogP5.85
Rot. Bonds8

About (2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete

(2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete (PubChem CID 155350158) has the molecular formula C19H26F3N and a molecular weight of 325.42 g/mol. Its IUPAC name is (2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete.

Molecular Properties

Compound Name(2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete
PubChem CID155350158
Molecular FormulaC19H26F3N
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name(2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete
SMILESC=C/C=C\C(=C(/C=C)C(F)(F)F)[C@@]1(CCC)NC=C1[C@H](C)CC
InChIInChI=1S/C19H26F3N/c1-6-10-11-16(15(9-4)19(20,21)22)18(12-7-2)17(13-23-18)14(5)8-3/h6,9-11,13-14,23H,1,4,7-8,12H2,2-3,5H3/b11-10-,16-15-/t14-,18-/m1/s1
InChIKeyZVKXQISDOLFDRQ-KEDRZQIJSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete?
The IUPAC name of (2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete (CID 155350158) is (2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete.
What is the SMILES notation for (2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete?
The canonical SMILES for (2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete is C=C/C=C\C(=C(/C=C)C(F)(F)F)[C@@]1(CCC)NC=C1[C@H](C)CC.
What is the InChIKey of (2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete?
The InChIKey is ZVKXQISDOLFDRQ-KEDRZQIJSA-N. The full InChI is InChI=1S/C19H26F3N/c1-6-10-11-16(15(9-4)19(20,21)22)18(12-7-2)17(13-23-18)14(5)8-3/h6,9-11,13-14,23H,1,4,7-8,12H2,2-3,5H3/b11-10-,16-15-/t14-,18-/m1/s1.
What are the key properties of (2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete?
(2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete has a molecular weight of 325.42 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2R)-butan-2-yl]-2-propyl-2-[(3Z,5Z)-3-(trifluoromethyl)octa-1,3,5,7-tetraen-4-yl]-1H-azete is sourced from PubChem (CID 155350158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).