1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol

C24H39FOSn — CID 134949965

IUPAC1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol
SMILESC=CCC(O)c1ccc(/C=C\[Sn](CCCC)(CCCC)CCCC)cc1F
InChIInChI=1S/C12H12FO.3C4H9.Sn/c1-3-5-12(14)10-7-6-9(4-2)8-11(10)13;3*1-3-4-2;/h2-4,6-8,12,14H,1,5H2;3*1,3-4H2,2H3;
InChIKeyFDHGDUMAUHQIKK-UHFFFAOYSA-N
MW481.28 g/mol
LogP7.84
Rot. Bonds14

About 1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol

1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol (PubChem CID 134949965) has the molecular formula C24H39FOSn and a molecular weight of 481.28 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol
PubChem CID134949965
Molecular FormulaC24H39FOSn
Molecular Weight481.28 g/mol
Exact Mass482.20
IUPAC Name1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol
SMILESC=CCC(O)c1ccc(/C=C\[Sn](CCCC)(CCCC)CCCC)cc1F
InChIInChI=1S/C12H12FO.3C4H9.Sn/c1-3-5-12(14)10-7-6-9(4-2)8-11(10)13;3*1-3-4-2;/h2-4,6-8,12,14H,1,5H2;3*1,3-4H2,2H3;
InChIKeyFDHGDUMAUHQIKK-UHFFFAOYSA-N
XLogP7.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.28
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol?
The IUPAC name of 1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol (CID 134949965) is 1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol.
What is the SMILES notation for 1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol?
The canonical SMILES for 1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol is C=CCC(O)c1ccc(/C=C\[Sn](CCCC)(CCCC)CCCC)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol?
The InChIKey is FDHGDUMAUHQIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FO.3C4H9.Sn/c1-3-5-12(14)10-7-6-9(4-2)8-11(10)13;3*1-3-4-2;/h2-4,6-8,12,14H,1,5H2;3*1,3-4H2,2H3;.
What are the key properties of 1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol?
1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol has a molecular weight of 481.28 g/mol, XLogP of 7.84, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(Z)-2-tributylstannylethenyl]phenyl]but-3-en-1-ol is sourced from PubChem (CID 134949965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).