ethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine

C15H24F3N — CID 143610971

IUPACethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine
SMILESC=C(/C(C)=C\C(=C/C)C(F)(F)F)N1CCCC1.CC
InChIInChI=1S/C13H18F3N.C2H6/c1-4-12(13(14,15)16)9-10(2)11(3)17-7-5-6-8-17;1-2/h4,9H,3,5-8H2,1-2H3;1-2H3/b10-9-,12-4+;
InChIKeyNFVBAAZLXLRRTH-YJCBWTGLSA-N
MW275.36 g/mol
LogP5.08
Rot. Bonds3

About ethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine

ethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine (PubChem CID 143610971) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is ethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine.

Molecular Properties

Compound Nameethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine
PubChem CID143610971
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Nameethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine
SMILESC=C(/C(C)=C\C(=C/C)C(F)(F)F)N1CCCC1.CC
InChIInChI=1S/C13H18F3N.C2H6/c1-4-12(13(14,15)16)9-10(2)11(3)17-7-5-6-8-17;1-2/h4,9H,3,5-8H2,1-2H3;1-2H3/b10-9-,12-4+;
InChIKeyNFVBAAZLXLRRTH-YJCBWTGLSA-N
XLogP5.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.36
LogP ≤ 55.08
H-Bond Donors ≤ 50
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 ethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine?
The IUPAC name of ethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine (CID 143610971) is ethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine.
What is the SMILES notation for ethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine?
The canonical SMILES for ethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine is C=C(/C(C)=C\C(=C/C)C(F)(F)F)N1CCCC1.CC.
What is the InChIKey of ethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine?
The InChIKey is NFVBAAZLXLRRTH-YJCBWTGLSA-N. The full InChI is InChI=1S/C13H18F3N.C2H6/c1-4-12(13(14,15)16)9-10(2)11(3)17-7-5-6-8-17;1-2/h4,9H,3,5-8H2,1-2H3;1-2H3/b10-9-,12-4+;.
What are the key properties of ethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine?
ethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine has a molecular weight of 275.36 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine is sourced from PubChem (CID 143610971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).