N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C8H10ClF6NO2 — CID 103311002

IUPACN-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCOCC(Cl)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10ClF6NO2/c1-18-3-4(9)2-16-6(17)5(7(10,11)12)8(13,14)15/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyUXQOUHQDNZYDQH-UHFFFAOYSA-N
MW301.61 g/mol
LogP2.10
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103311002) has the molecular formula C8H10ClF6NO2 and a molecular weight of 301.61 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103311002
Molecular FormulaC8H10ClF6NO2
Molecular Weight301.61 g/mol
Exact Mass301.03
IUPAC NameN-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCOCC(Cl)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10ClF6NO2/c1-18-3-4(9)2-16-6(17)5(7(10,11)12)8(13,14)15/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyUXQOUHQDNZYDQH-UHFFFAOYSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.61
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-methoxypropyl)-2-methylpentanamide
CID 114298733
N-(3-bromo-4-methoxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 106245359
N-(2-bromo-3-methylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311077
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212347
N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide
CID 114299025
N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide
CID 114298835
N-(3-chloro-4-methoxybutyl)-2-methylbutanamide
CID 106244043
3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide
CID 23235143
N-(2-chloro-3-methoxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114298715
N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide
CID 114298974
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748453

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103311002) is N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is COCC(Cl)CNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is UXQOUHQDNZYDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF6NO2/c1-18-3-4(9)2-16-6(17)5(7(10,11)12)8(13,14)15/h4-5H,2-3H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 301.61 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103311002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).