2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride

C6H8Cl3F2NO — CID 130671549

IUPAC2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCC(F)F)C1CC1(Cl)Cl
InChIInChI=1S/C6H7Cl2F2NO.ClH/c7-6(8)1-3(6)5(12)11-2-4(9)10;/h3-4H,1-2H2,(H,11,12);1H
InChIKeyGUYATLRZZWEBIH-UHFFFAOYSA-N
MW254.49 g/mol
LogP1.98
Rot. Bonds3

About 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride

2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 130671549) has the molecular formula C6H8Cl3F2NO and a molecular weight of 254.49 g/mol. Its IUPAC name is 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID130671549
Molecular FormulaC6H8Cl3F2NO
Molecular Weight254.49 g/mol
Exact Mass252.96
IUPAC Name2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCC(F)F)C1CC1(Cl)Cl
InChIInChI=1S/C6H7Cl2F2NO.ClH/c7-6(8)1-3(6)5(12)11-2-4(9)10;/h3-4H,1-2H2,(H,11,12);1H
InChIKeyGUYATLRZZWEBIH-UHFFFAOYSA-N
XLogP1.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
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-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride (CID 130671549) is 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride is Cl.O=C(NCC(F)F)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is GUYATLRZZWEBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2F2NO.ClH/c7-6(8)1-3(6)5(12)11-2-4(9)10;/h3-4H,1-2H2,(H,11,12);1H.
What are the key properties of 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride?
2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 254.49 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 130671549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).