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

C10H17ClF3NO — CID 62728150

IUPAC3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(C)CCl
InChIInChI=1S/C10H17ClF3NO/c1-7(2)5-15(6-10(12,13)14)9(16)8(3)4-11/h7-8H,4-6H2,1-3H3
InChIKeyGASSVYRAMVXUOA-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.91
Rot. Bonds5

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

3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 62728150) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID62728150
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC Name3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(C)CCl
InChIInChI=1S/C10H17ClF3NO/c1-7(2)5-15(6-10(12,13)14)9(16)8(3)4-11/h7-8H,4-6H2,1-3H3
InChIKeyGASSVYRAMVXUOA-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.91
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

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CID 60766679
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CID 85560148
CID 85560148
CID 140144669
CID 140144669
CID 172383904
CID 172383904
CID 172384213
CID 172384213
CID 177313187
CID 177313187
CID 54875705
CID 54875705
CID 55110482
CID 55110482
CID 55110769
CID 55110769

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 62728150) is 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C)CN(CC(F)(F)F)C(=O)C(C)CCl.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is GASSVYRAMVXUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c1-7(2)5-15(6-10(12,13)14)9(16)8(3)4-11/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 259.70 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 62728150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).