2-tert-butyl-5-fluoro-3-methoxythiophene

C9H13FOS — CID 146378268

IUPAC2-tert-butyl-5-fluoro-3-methoxythiophene
SMILESCOc1cc(F)sc1C(C)(C)C
InChIInChI=1S/C9H13FOS/c1-9(2,3)8-6(11-4)5-7(10)12-8/h5H,1-4H3
InChIKeySNUHNFLJFCFJIL-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.19
Rot. Bonds1

About 2-tert-butyl-5-fluoro-3-methoxythiophene

2-tert-butyl-5-fluoro-3-methoxythiophene (PubChem CID 146378268) has the molecular formula C9H13FOS and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoro-3-methoxythiophene.

Molecular Properties

Compound Name2-tert-butyl-5-fluoro-3-methoxythiophene
PubChem CID146378268
Molecular FormulaC9H13FOS
Molecular Weight188.27 g/mol
Exact Mass188.07
IUPAC Name2-tert-butyl-5-fluoro-3-methoxythiophene
SMILESCOc1cc(F)sc1C(C)(C)C
InChIInChI=1S/C9H13FOS/c1-9(2,3)8-6(11-4)5-7(10)12-8/h5H,1-4H3
InChIKeySNUHNFLJFCFJIL-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-3,5-difluorothiophene
CID 146378275
5-tert-butyl-2,3-dimethoxythiophene
CID 146379266
1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
CID 148903890
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
1-tert-butyl-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59135063
5-tert-butyl-1,3-dimethoxy-2-methylbenzene
CID 59572485
1-tert-butyl-5-chloro-4-fluoro-2-methoxybenzene
CID 177095864
2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84774491
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 80502577
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105
2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine
CID 84782823
2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol
CID 84670502

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoro-3-methoxythiophene?
The IUPAC name of 2-tert-butyl-5-fluoro-3-methoxythiophene (CID 146378268) is 2-tert-butyl-5-fluoro-3-methoxythiophene.
What is the SMILES notation for 2-tert-butyl-5-fluoro-3-methoxythiophene?
The canonical SMILES for 2-tert-butyl-5-fluoro-3-methoxythiophene is COc1cc(F)sc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-fluoro-3-methoxythiophene?
The InChIKey is SNUHNFLJFCFJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FOS/c1-9(2,3)8-6(11-4)5-7(10)12-8/h5H,1-4H3.
What are the key properties of 2-tert-butyl-5-fluoro-3-methoxythiophene?
2-tert-butyl-5-fluoro-3-methoxythiophene has a molecular weight of 188.27 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoro-3-methoxythiophene is sourced from PubChem (CID 146378268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).