2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene

C8H5Cl2F5S — CID 102764813

IUPAC2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene
SMILESCc1cc(C(Cl)C(F)(F)C(F)(F)F)sc1Cl
InChIInChI=1S/C8H5Cl2F5S/c1-3-2-4(16-6(3)10)5(9)7(11,12)8(13,14)15/h2,5H,1H3
InChIKeyXBZSFIMQPVJMAJ-UHFFFAOYSA-N
MW299.09 g/mol
LogP5.19
Rot. Bonds2

About 2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene

2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene (PubChem CID 102764813) has the molecular formula C8H5Cl2F5S and a molecular weight of 299.09 g/mol. Its IUPAC name is 2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene
PubChem CID102764813
Molecular FormulaC8H5Cl2F5S
Molecular Weight299.09 g/mol
Exact Mass297.94
IUPAC Name2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene
SMILESCc1cc(C(Cl)C(F)(F)C(F)(F)F)sc1Cl
InChIInChI=1S/C8H5Cl2F5S/c1-3-2-4(16-6(3)10)5(9)7(11,12)8(13,14)15/h2,5H,1H3
InChIKeyXBZSFIMQPVJMAJ-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.09
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene
CID 130605196
2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene
CID 102764774
1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
CID 102764468
2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764820
5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 107983647
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 102763622
5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-chloro-3-methylthiophene
CID 102764977
2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene
CID 102764691
4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
CID 102764651
2-chloro-5-[chloro-(5-chloro-2-methylphenyl)methyl]-3-methylthiophene
CID 102764694
2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene
CID 103404938

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene?
The IUPAC name of 2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene (CID 102764813) is 2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene?
The canonical SMILES for 2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene is Cc1cc(C(Cl)C(F)(F)C(F)(F)F)sc1Cl.
What is the InChIKey of 2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene?
The InChIKey is XBZSFIMQPVJMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F5S/c1-3-2-4(16-6(3)10)5(9)7(11,12)8(13,14)15/h2,5H,1H3.
What are the key properties of 2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene?
2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene has a molecular weight of 299.09 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene is sourced from PubChem (CID 102764813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).