2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide

C8H7ClF3NO2 — CID 106686799

IUPAC2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C8H7ClF3NO2/c9-6-5(1-4-15-6)7(14)13-3-2-8(10,11)12/h1,4H,2-3H2,(H,13,14)
InChIKeyHASYPDBFRWEHOC-UHFFFAOYSA-N
MW241.60 g/mol
LogP2.62
Rot. Bonds3

About 2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide

2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide (PubChem CID 106686799) has the molecular formula C8H7ClF3NO2 and a molecular weight of 241.60 g/mol. Its IUPAC name is 2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide
PubChem CID106686799
Molecular FormulaC8H7ClF3NO2
Molecular Weight241.60 g/mol
Exact Mass241.01
IUPAC Name2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C8H7ClF3NO2/c9-6-5(1-4-15-6)7(14)13-3-2-8(10,11)12/h1,4H,2-3H2,(H,13,14)
InChIKeyHASYPDBFRWEHOC-UHFFFAOYSA-N
XLogP2.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide (CID 106686799) is 2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide is O=C(NCCC(F)(F)F)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide?
The InChIKey is HASYPDBFRWEHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO2/c9-6-5(1-4-15-6)7(14)13-3-2-8(10,11)12/h1,4H,2-3H2,(H,13,14).
What are the key properties of 2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide?
2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide has a molecular weight of 241.60 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide is sourced from PubChem (CID 106686799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).