fluoro formate;2-methoxy-3-methyl-5-phenylthiophene

C13H13FO3S — CID 166155349

IUPACfluoro formate;2-methoxy-3-methyl-5-phenylthiophene
SMILESCOc1sc(-c2ccccc2)cc1C.O=COF
InChIInChI=1S/C12H12OS.CHFO2/c1-9-8-11(14-12(9)13-2)10-6-4-3-5-7-10;2-4-1-3/h3-8H,1-2H3;1H
InChIKeyGHYVWBMSNDAWIH-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.78
Rot. Bonds3

About fluoro formate;2-methoxy-3-methyl-5-phenylthiophene

fluoro formate;2-methoxy-3-methyl-5-phenylthiophene (PubChem CID 166155349) has the molecular formula C13H13FO3S and a molecular weight of 268.31 g/mol. Its IUPAC name is fluoro formate;2-methoxy-3-methyl-5-phenylthiophene.

Molecular Properties

Compound Namefluoro formate;2-methoxy-3-methyl-5-phenylthiophene
PubChem CID166155349
Molecular FormulaC13H13FO3S
Molecular Weight268.31 g/mol
Exact Mass268.06
IUPAC Namefluoro formate;2-methoxy-3-methyl-5-phenylthiophene
SMILESCOc1sc(-c2ccccc2)cc1C.O=COF
InChIInChI=1S/C12H12OS.CHFO2/c1-9-8-11(14-12(9)13-2)10-6-4-3-5-7-10;2-4-1-3/h3-8H,1-2H3;1H
InChIKeyGHYVWBMSNDAWIH-UHFFFAOYSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene
CID 101101183
2,5-bis(3-methoxyphenyl)-3-methylthiophene
CID 123497172
phenyl 3-methoxy-5-phenylthiophene-2-carboxylate
CID 139631603
(5-phenylthiophen-2-yl) formate
CID 174545839
2-ethoxy-3-[2-(2-ethoxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene
CID 11017310
methoxymethane;4-methyl-2-phenylthieno[2,3-c]pyridine
CID 91395588
2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene
CID 23386693
3-(3-methoxyphenyl)-2,5-diphenylthiophene
CID 86108193
2-bromo-5-phenylthiophene-3-carbaldehyde
CID 14113891
5-methoxy-4-methyl-2-phenyl-1,3-thiazole
CID 116887501
2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene
CID 90888254
2-methoxy-3-methyl-5-(trifluoromethyl)thiophene
CID 174536661

Frequently Asked Questions

What is the IUPAC name of fluoro formate;2-methoxy-3-methyl-5-phenylthiophene?
The IUPAC name of fluoro formate;2-methoxy-3-methyl-5-phenylthiophene (CID 166155349) is fluoro formate;2-methoxy-3-methyl-5-phenylthiophene.
What is the SMILES notation for fluoro formate;2-methoxy-3-methyl-5-phenylthiophene?
The canonical SMILES for fluoro formate;2-methoxy-3-methyl-5-phenylthiophene is COc1sc(-c2ccccc2)cc1C.O=COF.
What is the InChIKey of fluoro formate;2-methoxy-3-methyl-5-phenylthiophene?
The InChIKey is GHYVWBMSNDAWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS.CHFO2/c1-9-8-11(14-12(9)13-2)10-6-4-3-5-7-10;2-4-1-3/h3-8H,1-2H3;1H.
What are the key properties of fluoro formate;2-methoxy-3-methyl-5-phenylthiophene?
fluoro formate;2-methoxy-3-methyl-5-phenylthiophene has a molecular weight of 268.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro formate;2-methoxy-3-methyl-5-phenylthiophene is sourced from PubChem (CID 166155349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).