3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol

C12H16FNO — CID 143749637

IUPAC3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol
SMILESC=Cc1[nH]cc(CCCO)c1/C=C(\C)F
InChIInChI=1S/C12H16FNO/c1-3-12-11(7-9(2)13)10(8-14-12)5-4-6-15/h3,7-8,14-15H,1,4-6H2,2H3/b9-7+
InChIKeyVLJHLPKDAIVUFZ-VQHVLOKHSA-N
MW209.26 g/mol
LogP2.91
Rot. Bonds5

About 3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol

3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol (PubChem CID 143749637) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol
PubChem CID143749637
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol
SMILESC=Cc1[nH]cc(CCCO)c1/C=C(\C)F
InChIInChI=1S/C12H16FNO/c1-3-12-11(7-9(2)13)10(8-14-12)5-4-6-15/h3,7-8,14-15H,1,4-6H2,2H3/b9-7+
InChIKeyVLJHLPKDAIVUFZ-VQHVLOKHSA-N
XLogP2.91
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol?
The IUPAC name of 3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol (CID 143749637) is 3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol is C=Cc1[nH]cc(CCCO)c1/C=C(\C)F.
What is the InChIKey of 3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol?
The InChIKey is VLJHLPKDAIVUFZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-12-11(7-9(2)13)10(8-14-12)5-4-6-15/h3,7-8,14-15H,1,4-6H2,2H3/b9-7+.
What are the key properties of 3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol?
3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol has a molecular weight of 209.26 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 143749637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).