2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride

C15H17FOS2 — CID 87065877

IUPAC2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride
SMILESCCCCCCc1csc(-c2sccc2C(=O)F)c1
InChIInChI=1S/C15H17FOS2/c1-2-3-4-5-6-11-9-13(19-10-11)14-12(15(16)17)7-8-18-14/h7-10H,2-6H2,1H3
InChIKeyWBQZVYKCGKNVRQ-UHFFFAOYSA-N
MW296.43 g/mol
LogP5.71
Rot. Bonds7

About 2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride

2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride (PubChem CID 87065877) has the molecular formula C15H17FOS2 and a molecular weight of 296.43 g/mol. Its IUPAC name is 2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride.

Molecular Properties

Compound Name2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride
PubChem CID87065877
Molecular FormulaC15H17FOS2
Molecular Weight296.43 g/mol
Exact Mass296.07
IUPAC Name2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride
SMILESCCCCCCc1csc(-c2sccc2C(=O)F)c1
InChIInChI=1S/C15H17FOS2/c1-2-3-4-5-6-11-9-13(19-10-11)14-12(15(16)17)7-8-18-14/h7-10H,2-6H2,1H3
InChIKeyWBQZVYKCGKNVRQ-UHFFFAOYSA-N
XLogP5.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-nonyl-2-(4-nonylthiophen-2-yl)thiophene
CID 139119009
3-hexyl-2-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-5-(3-hexylthiophen-2-yl)thiophene
CID 10818171
3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene
CID 102479833
3-dodecyl-2-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-(4-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-dodecylthiophen-2-yl)thiophene
CID 135005734
4-hexyl-2-(4-methylphenyl)thiophene
CID 102312853
4-(3-hexylthiophen-2-yl)-7-(4-hexylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 102292409
4-dodecylthiophene-2-carboxylic acid
CID 70496185
4-hexyl-2-[4-(4-hexylthiophen-2-yl)-2,5-dimethylphenyl]thiophene
CID 101038762
3-hexyl-2-[4-hexyl-5-[5-[5-(4-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 59515123
2-tetradecylthiophene-3-carboxylic acid
CID 67293637
[2-[5-[3-[bis(4-hexylphenyl)-hydroxymethyl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]-bis(4-hexylphenyl)methanol;ethyl 2-[5-(3-ethoxycarbonylthiophen-2-yl)thieno[3,2-b]thiophen-2-yl]thiophene-3-carboxylate
CID 159316230
1,1-bis(4-hexylthiophen-2-yl)propan-2-one
CID 118412629

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride?
The IUPAC name of 2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride (CID 87065877) is 2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride.
What is the SMILES notation for 2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride?
The canonical SMILES for 2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride is CCCCCCc1csc(-c2sccc2C(=O)F)c1.
What is the InChIKey of 2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride?
The InChIKey is WBQZVYKCGKNVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FOS2/c1-2-3-4-5-6-11-9-13(19-10-11)14-12(15(16)17)7-8-18-14/h7-10H,2-6H2,1H3.
What are the key properties of 2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride?
2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride has a molecular weight of 296.43 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylthiophen-2-yl)thiophene-3-carbonyl fluoride is sourced from PubChem (CID 87065877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).