2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide

C9H9F2NO2 — CID 67178300

IUPAC2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide
SMILESNC(=O)C1C(c2ccco2)CC1(F)F
InChIInChI=1S/C9H9F2NO2/c10-9(11)4-5(7(9)8(12)13)6-2-1-3-14-6/h1-3,5,7H,4H2,(H2,12,13)
InChIKeyRSKNLIGVFLLWBP-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.50
Rot. Bonds2

About 2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide

2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide (PubChem CID 67178300) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide
PubChem CID67178300
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide
SMILESNC(=O)C1C(c2ccco2)CC1(F)F
InChIInChI=1S/C9H9F2NO2/c10-9(11)4-5(7(9)8(12)13)6-2-1-3-14-6/h1-3,5,7H,4H2,(H2,12,13)
InChIKeyRSKNLIGVFLLWBP-UHFFFAOYSA-N
XLogP1.50
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide (CID 67178300) is 2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide is NC(=O)C1C(c2ccco2)CC1(F)F.
What is the InChIKey of 2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is RSKNLIGVFLLWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-9(11)4-5(7(9)8(12)13)6-2-1-3-14-6/h1-3,5,7H,4H2,(H2,12,13).
What are the key properties of 2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide?
2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 201.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 67178300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).