2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C8H10Cl2F3NO — CID 78858761

IUPAC2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C8H10Cl2F3NO/c1-2-14(4-8(11,12)13)6(15)5-3-7(5,9)10/h5H,2-4H2,1H3
InChIKeyRVYOHEBIOPIZKH-UHFFFAOYSA-N
MW264.07 g/mol
LogP2.59
Rot. Bonds3

About 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 78858761) has the molecular formula C8H10Cl2F3NO and a molecular weight of 264.07 g/mol. Its IUPAC name is 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID78858761
Molecular FormulaC8H10Cl2F3NO
Molecular Weight264.07 g/mol
Exact Mass263.01
IUPAC Name2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C8H10Cl2F3NO/c1-2-14(4-8(11,12)13)6(15)5-3-7(5,9)10/h5H,2-4H2,1H3
InChIKeyRVYOHEBIOPIZKH-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 78858761) is 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CCN(CC(F)(F)F)C(=O)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is RVYOHEBIOPIZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2F3NO/c1-2-14(4-8(11,12)13)6(15)5-3-7(5,9)10/h5H,2-4H2,1H3.
What are the key properties of 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 264.07 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78858761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).