3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide

C9H13ClF3NO — CID 106211145

IUPAC3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCC(C)(CCl)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H13ClF3NO/c1-7(2,5-10)6(15)14-8(3-4-8)9(11,12)13/h3-5H2,1-2H3,(H,14,15)
InChIKeyOGKAZCQSWCOXSU-UHFFFAOYSA-N
MW243.66 g/mol
LogP2.46
Rot. Bonds3

About 3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide

3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 106211145) has the molecular formula C9H13ClF3NO and a molecular weight of 243.66 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID106211145
Molecular FormulaC9H13ClF3NO
Molecular Weight243.66 g/mol
Exact Mass243.06
IUPAC Name3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCC(C)(CCl)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H13ClF3NO/c1-7(2,5-10)6(15)14-8(3-4-8)9(11,12)13/h3-5H2,1-2H3,(H,14,15)
InChIKeyOGKAZCQSWCOXSU-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 52.46
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 3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 106211145) is 3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide is CC(C)(CCl)C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is OGKAZCQSWCOXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClF3NO/c1-7(2,5-10)6(15)14-8(3-4-8)9(11,12)13/h3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 243.66 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 106211145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).