(3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine

C8H12FNO — CID 155131373

IUPAC(3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine
SMILESC=CC(=C)[C@]1(F)CCN(O)C1
InChIInChI=1S/C8H12FNO/c1-3-7(2)8(9)4-5-10(11)6-8/h3,11H,1-2,4-6H2/t8-/m0/s1
InChIKeyNWRKAFZVWGPBLE-QMMMGPOBSA-N
MW157.19 g/mol
LogP1.53
Rot. Bonds2

About (3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine

(3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine (PubChem CID 155131373) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine.

Molecular Properties

Compound Name(3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine
PubChem CID155131373
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine
SMILESC=CC(=C)[C@]1(F)CCN(O)C1
InChIInChI=1S/C8H12FNO/c1-3-7(2)8(9)4-5-10(11)6-8/h3,11H,1-2,4-6H2/t8-/m0/s1
InChIKeyNWRKAFZVWGPBLE-QMMMGPOBSA-N
XLogP1.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine?
The IUPAC name of (3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine (CID 155131373) is (3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine.
What is the SMILES notation for (3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine?
The canonical SMILES for (3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine is C=CC(=C)[C@]1(F)CCN(O)C1.
What is the InChIKey of (3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine?
The InChIKey is NWRKAFZVWGPBLE-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12FNO/c1-3-7(2)8(9)4-5-10(11)6-8/h3,11H,1-2,4-6H2/t8-/m0/s1.
What are the key properties of (3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine?
(3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine has a molecular weight of 157.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-buta-1,3-dien-2-yl-3-fluoro-1-hydroxypyrrolidine is sourced from PubChem (CID 155131373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).