1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide

C6H8ClF2NO — CID 90224660

IUPAC1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(F)F)C1(Cl)CC1
InChIInChI=1S/C6H8ClF2NO/c7-6(1-2-6)5(11)10-3-4(8)9/h4H,1-3H2,(H,10,11)
InChIKeyLZFULVRNOVMABI-UHFFFAOYSA-N
MW183.58 g/mol
LogP1.14
Rot. Bonds3

About 1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide

1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide (PubChem CID 90224660) has the molecular formula C6H8ClF2NO and a molecular weight of 183.58 g/mol. Its IUPAC name is 1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide
PubChem CID90224660
Molecular FormulaC6H8ClF2NO
Molecular Weight183.58 g/mol
Exact Mass183.03
IUPAC Name1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(F)F)C1(Cl)CC1
InChIInChI=1S/C6H8ClF2NO/c7-6(1-2-6)5(11)10-3-4(8)9/h4H,1-3H2,(H,10,11)
InChIKeyLZFULVRNOVMABI-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.58
LogP ≤ 51.14
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 1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide (CID 90224660) is 1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide is O=C(NCC(F)F)C1(Cl)CC1.
What is the InChIKey of 1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is LZFULVRNOVMABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF2NO/c7-6(1-2-6)5(11)10-3-4(8)9/h4H,1-3H2,(H,10,11).
What are the key properties of 1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide?
1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 183.58 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90224660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).