(2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine

C11H15F2N — CID 129150659

IUPAC(2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine
SMILESC=C(/C(F)=C\C=C(/C)F)[C@H]1CCCN1
InChIInChI=1S/C11H15F2N/c1-8(12)5-6-10(13)9(2)11-4-3-7-14-11/h5-6,11,14H,2-4,7H2,1H3/b8-5+,10-6+/t11-/m1/s1
InChIKeyRZMZSAFJIPHCPM-LCQWQHQGSA-N
MW199.24 g/mol
LogP3.02
Rot. Bonds3

About (2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine

(2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine (PubChem CID 129150659) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is (2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine
PubChem CID129150659
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name(2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine
SMILESC=C(/C(F)=C\C=C(/C)F)[C@H]1CCCN1
InChIInChI=1S/C11H15F2N/c1-8(12)5-6-10(13)9(2)11-4-3-7-14-11/h5-6,11,14H,2-4,7H2,1H3/b8-5+,10-6+/t11-/m1/s1
InChIKeyRZMZSAFJIPHCPM-LCQWQHQGSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.02
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)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine?
The IUPAC name of (2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine (CID 129150659) is (2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine?
The canonical SMILES for (2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine is C=C(/C(F)=C\C=C(/C)F)[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine?
The InChIKey is RZMZSAFJIPHCPM-LCQWQHQGSA-N. The full InChI is InChI=1S/C11H15F2N/c1-8(12)5-6-10(13)9(2)11-4-3-7-14-11/h5-6,11,14H,2-4,7H2,1H3/b8-5+,10-6+/t11-/m1/s1.
What are the key properties of (2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine?
(2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine has a molecular weight of 199.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine is sourced from PubChem (CID 129150659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).