2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide

C9H8Cl3F2NOS — CID 107966454

IUPAC2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1cc(Cl)sc1Cl)N(CCCl)CC(F)F
InChIInChI=1S/C9H8Cl3F2NOS/c10-1-2-15(4-7(13)14)9(16)5-3-6(11)17-8(5)12/h3,7H,1-2,4H2
InChIKeyRKXPOFDRAJQVBG-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.00
Rot. Bonds5

About 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide

2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide (PubChem CID 107966454) has the molecular formula C9H8Cl3F2NOS and a molecular weight of 322.59 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide
PubChem CID107966454
Molecular FormulaC9H8Cl3F2NOS
Molecular Weight322.59 g/mol
Exact Mass320.94
IUPAC Name2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1cc(Cl)sc1Cl)N(CCCl)CC(F)F
InChIInChI=1S/C9H8Cl3F2NOS/c10-1-2-15(4-7(13)14)9(16)5-3-6(11)17-8(5)12/h3,7H,1-2,4H2
InChIKeyRKXPOFDRAJQVBG-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide (CID 107966454) is 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide is O=C(c1cc(Cl)sc1Cl)N(CCCl)CC(F)F.
What is the InChIKey of 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide?
The InChIKey is RKXPOFDRAJQVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3F2NOS/c10-1-2-15(4-7(13)14)9(16)5-3-6(11)17-8(5)12/h3,7H,1-2,4H2.
What are the key properties of 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide?
2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide has a molecular weight of 322.59 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 107966454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).