2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide

C12H13ClF3NO2 — CID 106686116

IUPAC2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C12H13ClF3NO2/c13-10-7(5-6-19-10)11(18)17-9-4-2-1-3-8(9)12(14,15)16/h5-6,8-9H,1-4H2,(H,17,18)
InChIKeyZGKIRPSKXPTEMT-UHFFFAOYSA-N
MW295.69 g/mol
LogP3.78
Rot. Bonds2

About 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide

2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide (PubChem CID 106686116) has the molecular formula C12H13ClF3NO2 and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide
PubChem CID106686116
Molecular FormulaC12H13ClF3NO2
Molecular Weight295.69 g/mol
Exact Mass295.06
IUPAC Name2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C12H13ClF3NO2/c13-10-7(5-6-19-10)11(18)17-9-4-2-1-3-8(9)12(14,15)16/h5-6,8-9H,1-4H2,(H,17,18)
InChIKeyZGKIRPSKXPTEMT-UHFFFAOYSA-N
XLogP3.78
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide (CID 106686116) is 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide is O=C(NC1CCCCC1C(F)(F)F)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide?
The InChIKey is ZGKIRPSKXPTEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO2/c13-10-7(5-6-19-10)11(18)17-9-4-2-1-3-8(9)12(14,15)16/h5-6,8-9H,1-4H2,(H,17,18).
What are the key properties of 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide?
2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide has a molecular weight of 295.69 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]furan-3-carboxamide is sourced from PubChem (CID 106686116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).