(2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine

C14H24FN — CID 145012084

IUPAC(2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine
SMILESCC/C(=C\C=C(/C)[C@H]1CCCN1)C(C)(C)F
InChIInChI=1S/C14H24FN/c1-5-12(14(3,4)15)9-8-11(2)13-7-6-10-16-13/h8-9,13,16H,5-7,10H2,1-4H3/b11-8+,12-9+/t13-/m1/s1
InChIKeyQKHDKURKYIKBOZ-ZWLHLFAHSA-N
MW225.35 g/mol
LogP3.77
Rot. Bonds4

About (2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine

(2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine (PubChem CID 145012084) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is (2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine
PubChem CID145012084
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name(2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine
SMILESCC/C(=C\C=C(/C)[C@H]1CCCN1)C(C)(C)F
InChIInChI=1S/C14H24FN/c1-5-12(14(3,4)15)9-8-11(2)13-7-6-10-16-13/h8-9,13,16H,5-7,10H2,1-4H3/b11-8+,12-9+/t13-/m1/s1
InChIKeyQKHDKURKYIKBOZ-ZWLHLFAHSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.77
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-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine?
The IUPAC name of (2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine (CID 145012084) is (2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine?
The canonical SMILES for (2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine is CC/C(=C\C=C(/C)[C@H]1CCCN1)C(C)(C)F.
What is the InChIKey of (2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine?
The InChIKey is QKHDKURKYIKBOZ-ZWLHLFAHSA-N. The full InChI is InChI=1S/C14H24FN/c1-5-12(14(3,4)15)9-8-11(2)13-7-6-10-16-13/h8-9,13,16H,5-7,10H2,1-4H3/b11-8+,12-9+/t13-/m1/s1.
What are the key properties of (2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine?
(2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine has a molecular weight of 225.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine is sourced from PubChem (CID 145012084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).