(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol

C13H16FNO — CID 103881968

IUPAC(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(C/C=C/c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO/c14-12-5-3-11(4-6-12)2-1-8-15-9-7-13(16)10-15/h1-6,13,16H,7-10H2/b2-1+/t13-/m1/s1
InChIKeyQAFKEVLDJHBTPI-ZIYVKSGCSA-N
MW221.28 g/mol
LogP1.91
Rot. Bonds3

About (3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol

(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol (PubChem CID 103881968) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol
PubChem CID103881968
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(C/C=C/c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO/c14-12-5-3-11(4-6-12)2-1-8-15-9-7-13(16)10-15/h1-6,13,16H,7-10H2/b2-1+/t13-/m1/s1
InChIKeyQAFKEVLDJHBTPI-ZIYVKSGCSA-N
XLogP1.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol (CID 103881968) is (3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol is O[C@@H]1CCN(C/C=C/c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol?
The InChIKey is QAFKEVLDJHBTPI-ZIYVKSGCSA-N. The full InChI is InChI=1S/C13H16FNO/c14-12-5-3-11(4-6-12)2-1-8-15-9-7-13(16)10-15/h1-6,13,16H,7-10H2/b2-1+/t13-/m1/s1.
What are the key properties of (3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol?
(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol has a molecular weight of 221.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol is sourced from PubChem (CID 103881968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).