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

C11H16ClFS — CID 146379666

IUPAC5-chloro-2-fluoro-3-(2-methylhexan-2-yl)thiophene
SMILESCCCCC(C)(C)c1cc(Cl)sc1F
InChIInChI=1S/C11H16ClFS/c1-4-5-6-11(2,3)8-7-9(12)14-10(8)13/h7H,4-6H2,1-3H3
InChIKeyVCVKBIJQMQKMQD-UHFFFAOYSA-N
MW234.77 g/mol
LogP5.01
Rot. Bonds4

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

5-chloro-2-fluoro-3-(2-methylhexan-2-yl)thiophene (PubChem CID 146379666) has the molecular formula C11H16ClFS and a molecular weight of 234.77 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-(2-methylhexan-2-yl)thiophene.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-(2-methylhexan-2-yl)thiophene
PubChem CID146379666
Molecular FormulaC11H16ClFS
Molecular Weight234.77 g/mol
Exact Mass234.06
IUPAC Name5-chloro-2-fluoro-3-(2-methylhexan-2-yl)thiophene
SMILESCCCCC(C)(C)c1cc(Cl)sc1F
InChIInChI=1S/C11H16ClFS/c1-4-5-6-11(2,3)8-7-9(12)14-10(8)13/h7H,4-6H2,1-3H3
InChIKeyVCVKBIJQMQKMQD-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.77
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-(2-methylhexan-2-yl)thiophene?
The IUPAC name of 5-chloro-2-fluoro-3-(2-methylhexan-2-yl)thiophene (CID 146379666) is 5-chloro-2-fluoro-3-(2-methylhexan-2-yl)thiophene.
What is the SMILES notation for 5-chloro-2-fluoro-3-(2-methylhexan-2-yl)thiophene?
The canonical SMILES for 5-chloro-2-fluoro-3-(2-methylhexan-2-yl)thiophene is CCCCC(C)(C)c1cc(Cl)sc1F.
What is the InChIKey of 5-chloro-2-fluoro-3-(2-methylhexan-2-yl)thiophene?
The InChIKey is VCVKBIJQMQKMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFS/c1-4-5-6-11(2,3)8-7-9(12)14-10(8)13/h7H,4-6H2,1-3H3.
What are the key properties of 5-chloro-2-fluoro-3-(2-methylhexan-2-yl)thiophene?
5-chloro-2-fluoro-3-(2-methylhexan-2-yl)thiophene has a molecular weight of 234.77 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-(2-methylhexan-2-yl)thiophene is sourced from PubChem (CID 146379666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).