2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide

C9H8BrF2NOS — CID 164648865

IUPAC2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide
SMILESO=C(NC1(C(F)F)CC1)c1ccsc1Br
InChIInChI=1S/C9H8BrF2NOS/c10-6-5(1-4-15-6)7(14)13-9(2-3-9)8(11)12/h1,4,8H,2-3H2,(H,13,14)
InChIKeySSCYRUMQEWQVJF-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.04
Rot. Bonds3

About 2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide

2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide (PubChem CID 164648865) has the molecular formula C9H8BrF2NOS and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide
PubChem CID164648865
Molecular FormulaC9H8BrF2NOS
Molecular Weight296.14 g/mol
Exact Mass294.95
IUPAC Name2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide
SMILESO=C(NC1(C(F)F)CC1)c1ccsc1Br
InChIInChI=1S/C9H8BrF2NOS/c10-6-5(1-4-15-6)7(14)13-9(2-3-9)8(11)12/h1,4,8H,2-3H2,(H,13,14)
InChIKeySSCYRUMQEWQVJF-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of 2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide (CID 164648865) is 2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide is O=C(NC1(C(F)F)CC1)c1ccsc1Br.
What is the InChIKey of 2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide?
The InChIKey is SSCYRUMQEWQVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NOS/c10-6-5(1-4-15-6)7(14)13-9(2-3-9)8(11)12/h1,4,8H,2-3H2,(H,13,14).
What are the key properties of 2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide?
2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide has a molecular weight of 296.14 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 164648865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).