(1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C7H8Cl2F3NO — CID 51969478

IUPAC(1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESC[C@@]1(C(=O)NCC(F)(F)F)CC1(Cl)Cl
InChIInChI=1S/C7H8Cl2F3NO/c1-5(2-6(5,8)9)4(14)13-3-7(10,11)12/h2-3H2,1H3,(H,13,14)/t5-/m0/s1
InChIKeyWDHVGKJMUBPENA-YFKPBYRVSA-N
MW250.05 g/mol
LogP2.25
Rot. Bonds2

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

(1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 51969478) has the molecular formula C7H8Cl2F3NO and a molecular weight of 250.05 g/mol. Its IUPAC name is (1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID51969478
Molecular FormulaC7H8Cl2F3NO
Molecular Weight250.05 g/mol
Exact Mass248.99
IUPAC Name(1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESC[C@@]1(C(=O)NCC(F)(F)F)CC1(Cl)Cl
InChIInChI=1S/C7H8Cl2F3NO/c1-5(2-6(5,8)9)4(14)13-3-7(10,11)12/h2-3H2,1H3,(H,13,14)/t5-/m0/s1
InChIKeyWDHVGKJMUBPENA-YFKPBYRVSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.05
LogP ≤ 52.25
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 (1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 51969478) is (1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is C[C@@]1(C(=O)NCC(F)(F)F)CC1(Cl)Cl.
What is the InChIKey of (1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is WDHVGKJMUBPENA-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H8Cl2F3NO/c1-5(2-6(5,8)9)4(14)13-3-7(10,11)12/h2-3H2,1H3,(H,13,14)/t5-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
(1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 250.05 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 51969478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).