3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene

C10H2BrF13S — CID 10480326

IUPAC3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1sccc1Br
InChIInChI=1S/C10H2BrF13S/c11-3-1-2-25-4(3)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)24/h1-2H
InChIKeyFPRHDAOLSDUERX-UHFFFAOYSA-N
MW481.07 g/mol
LogP6.71
Rot. Bonds5

About 3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene

3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene (PubChem CID 10480326) has the molecular formula C10H2BrF13S and a molecular weight of 481.07 g/mol. Its IUPAC name is 3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene
PubChem CID10480326
Molecular FormulaC10H2BrF13S
Molecular Weight481.07 g/mol
Exact Mass479.89
IUPAC Name3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1sccc1Br
InChIInChI=1S/C10H2BrF13S/c11-3-1-2-25-4(3)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)24/h1-2H
InChIKeyFPRHDAOLSDUERX-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.07
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine
CID 112565119
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene
CID 10601524
2,5-bis[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)thiophen-2-yl]thiophene
CID 101356152
3-bromo-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene
CID 89163196
(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 131352754
3-bromo-2-(4-chloro-2-methylbutan-2-yl)thiophene
CID 80536754
3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine
CID 80537311
1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene
CID 138676934
1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene
CID 10649896
2-amino-1-(3-bromothiophen-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 116592949
1-bromo-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfanyl)benzene
CID 156635411
1,2-dimethyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene
CID 164677102

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene?
The IUPAC name of 3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene (CID 10480326) is 3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene.
What is the SMILES notation for 3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene?
The canonical SMILES for 3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1sccc1Br.
What is the InChIKey of 3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene?
The InChIKey is FPRHDAOLSDUERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2BrF13S/c11-3-1-2-25-4(3)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)24/h1-2H.
What are the key properties of 3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene?
3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene has a molecular weight of 481.07 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene is sourced from PubChem (CID 10480326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).