(2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol

C10H9FINOS — CID 70943225

IUPAC(2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol
SMILESOC(C1=C(F)CCC(I)=C1)c1ccns1
InChIInChI=1S/C10H9FINOS/c11-8-2-1-6(12)5-7(8)10(14)9-3-4-13-15-9/h3-5,10,14H,1-2H2
InChIKeyRNKPVLNCYRYQKF-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.51
Rot. Bonds2

About (2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol

(2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol (PubChem CID 70943225) has the molecular formula C10H9FINOS and a molecular weight of 337.16 g/mol. Its IUPAC name is (2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol
PubChem CID70943225
Molecular FormulaC10H9FINOS
Molecular Weight337.16 g/mol
Exact Mass336.94
IUPAC Name(2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol
SMILESOC(C1=C(F)CCC(I)=C1)c1ccns1
InChIInChI=1S/C10H9FINOS/c11-8-2-1-6(12)5-7(8)10(14)9-3-4-13-15-9/h3-5,10,14H,1-2H2
InChIKeyRNKPVLNCYRYQKF-UHFFFAOYSA-N
XLogP3.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol (CID 70943225) is (2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol is OC(C1=C(F)CCC(I)=C1)c1ccns1.
What is the InChIKey of (2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is RNKPVLNCYRYQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FINOS/c11-8-2-1-6(12)5-7(8)10(14)9-3-4-13-15-9/h3-5,10,14H,1-2H2.
What are the key properties of (2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol?
(2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 337.16 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 70943225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).