3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene

C12H19FOS — CID 146378159

IUPAC3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene
SMILESCCCCC(C)(C)c1cc(F)c(OC)s1
InChIInChI=1S/C12H19FOS/c1-5-6-7-12(2,3)10-8-9(13)11(14-4)15-10/h8H,5-7H2,1-4H3
InChIKeyCTSCQPPEOROHCU-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.36
Rot. Bonds5

About 3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene

3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene (PubChem CID 146378159) has the molecular formula C12H19FOS and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene.

Molecular Properties

Compound Name3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene
PubChem CID146378159
Molecular FormulaC12H19FOS
Molecular Weight230.35 g/mol
Exact Mass230.11
IUPAC Name3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene
SMILESCCCCC(C)(C)c1cc(F)c(OC)s1
InChIInChI=1S/C12H19FOS/c1-5-6-7-12(2,3)10-8-9(13)11(14-4)15-10/h8H,5-7H2,1-4H3
InChIKeyCTSCQPPEOROHCU-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

2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene
CID 146379378
4-fluoro-2-(2-methylhexan-2-yl)furan
CID 146378699
2-fluoro-5-(2-methylpentan-2-yl)thiophene
CID 146378512
3-methoxy-5-(2-methylhexan-2-yl)pyridine
CID 130238683
3,4-difluoro-2-(2-methylhexan-2-yl)furan
CID 146378479
2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene
CID 71209664
1,2-difluoro-4-(2-methyloctan-2-yl)benzene
CID 146181426
5-tert-butyl-2-(2-ethylhexyl)-3-fluorothiophene;5-tert-butyl-3-fluoro-2-octylthiophene
CID 161413143
1-methoxy-2-(2-methylundecan-2-yl)benzene
CID 56625929
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950
3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole
CID 146376933

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene?
The IUPAC name of 3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene (CID 146378159) is 3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene.
What is the SMILES notation for 3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene?
The canonical SMILES for 3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene is CCCCC(C)(C)c1cc(F)c(OC)s1.
What is the InChIKey of 3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene?
The InChIKey is CTSCQPPEOROHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FOS/c1-5-6-7-12(2,3)10-8-9(13)11(14-4)15-10/h8H,5-7H2,1-4H3.
What are the key properties of 3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene?
3-fluoro-2-methoxy-5-(2-methylhexan-2-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 3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene is sourced from PubChem (CID 146378159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).