2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene

C12H19FOS — CID 146376962

IUPAC2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene
SMILESCCCC(C)(CC)c1csc(F)c1OC
InChIInChI=1S/C12H19FOS/c1-5-7-12(3,6-2)9-8-15-11(13)10(9)14-4/h8H,5-7H2,1-4H3
InChIKeyZAWSFJYQPXTCPY-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.36
Rot. Bonds5

About 2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene

2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene (PubChem CID 146376962) has the molecular formula C12H19FOS and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene.

Molecular Properties

Compound Name2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene
PubChem CID146376962
Molecular FormulaC12H19FOS
Molecular Weight230.35 g/mol
Exact Mass230.11
IUPAC Name2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene
SMILESCCCC(C)(CC)c1csc(F)c1OC
InChIInChI=1S/C12H19FOS/c1-5-7-12(3,6-2)9-8-15-11(13)10(9)14-4/h8H,5-7H2,1-4H3
InChIKeyZAWSFJYQPXTCPY-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-methyl-4-(3-methylhexan-3-yl)thiophene
CID 146378598
2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline
CID 142253352
1,2,4,5-tetrafluoro-3,6-bis(3-methylhexan-3-yl)benzene
CID 89419945
2-fluoro-3-(3-methylhexan-3-yl)furan
CID 146378632
3-methoxy-4-(3-methylhexan-3-yl)pyridine
CID 154951744
4-tert-butyl-3-methoxy-2-methylthiophene
CID 146377000
2-methyl-4-(3-methylhexan-3-yl)thiophene
CID 146378447
4-(3-methylhexan-3-yl)-1,3-thiazole
CID 90363109
5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378502
methyl 2-(3-methylhexan-3-yl)thiophene-3-carboxylate
CID 138502818
1,3-difluoro-2-methoxy-5-(2-methylbutan-2-yl)benzene
CID 146480194
2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan
CID 146378681

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene?
The IUPAC name of 2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene (CID 146376962) is 2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene.
What is the SMILES notation for 2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene?
The canonical SMILES for 2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene is CCCC(C)(CC)c1csc(F)c1OC.
What is the InChIKey of 2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene?
The InChIKey is ZAWSFJYQPXTCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FOS/c1-5-7-12(3,6-2)9-8-15-11(13)10(9)14-4/h8H,5-7H2,1-4H3.
What are the key properties of 2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene?
2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene has a molecular weight of 230.35 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene is sourced from PubChem (CID 146376962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).