3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide

C11H19ClF3NO — CID 63663816

IUPAC3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(C)(C)CCl
InChIInChI=1S/C11H19ClF3NO/c1-8(2)5-16(7-11(13,14)15)9(17)10(3,4)6-12/h8H,5-7H2,1-4H3
InChIKeyIEKCXBCECCSIOF-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.30
Rot. Bonds5

About 3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide

3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 63663816) has the molecular formula C11H19ClF3NO and a molecular weight of 273.73 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID63663816
Molecular FormulaC11H19ClF3NO
Molecular Weight273.73 g/mol
Exact Mass273.11
IUPAC Name3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(C)(C)CCl
InChIInChI=1S/C11H19ClF3NO/c1-8(2)5-16(7-11(13,14)15)9(17)10(3,4)6-12/h8H,5-7H2,1-4H3
InChIKeyIEKCXBCECCSIOF-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(Chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)azetidin-2-one
CID 137964016
N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide
CID 102177351
2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54592505
N-(3-chloro-2,2,3-trifluoropropyl)-N-methylacetamide
CID 85560148
N-(1-chloropropyl)-2,2,2-trifluoro-N-methylacetamide
CID 140144669
5-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 54875705
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 55110769
3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60892529
3-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60948138
2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60948268
3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60948280
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)propanamide
CID 60948526

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 63663816) is 3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C)CN(CC(F)(F)F)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is IEKCXBCECCSIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO/c1-8(2)5-16(7-11(13,14)15)9(17)10(3,4)6-12/h8H,5-7H2,1-4H3.
What are the key properties of 3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 273.73 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 63663816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).