2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide

C9H7BrF3NO2 — CID 107143425

IUPAC2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1ccoc1Br
InChIInChI=1S/C9H7BrF3NO2/c10-6-5(1-4-16-6)7(15)14-8(2-3-8)9(11,12)13/h1,4H,2-3H2,(H,14,15)
InChIKeyUZCNPFARBVFOKA-UHFFFAOYSA-N
MW298.06 g/mol
LogP2.87
Rot. Bonds2

About 2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide

2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide (PubChem CID 107143425) has the molecular formula C9H7BrF3NO2 and a molecular weight of 298.06 g/mol. Its IUPAC name is 2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide
PubChem CID107143425
Molecular FormulaC9H7BrF3NO2
Molecular Weight298.06 g/mol
Exact Mass296.96
IUPAC Name2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1ccoc1Br
InChIInChI=1S/C9H7BrF3NO2/c10-6-5(1-4-16-6)7(15)14-8(2-3-8)9(11,12)13/h1,4H,2-3H2,(H,14,15)
InChIKeyUZCNPFARBVFOKA-UHFFFAOYSA-N
XLogP2.87
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.06
LogP ≤ 52.87
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-(trifluoromethyl)cyclopropyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide (CID 107143425) is 2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide is O=C(NC1(C(F)(F)F)CC1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide?
The InChIKey is UZCNPFARBVFOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO2/c10-6-5(1-4-16-6)7(15)14-8(2-3-8)9(11,12)13/h1,4H,2-3H2,(H,14,15).
What are the key properties of 2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide?
2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide has a molecular weight of 298.06 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(trifluoromethyl)cyclopropyl]furan-3-carboxamide is sourced from PubChem (CID 107143425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).