N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

C9H15ClF3NO2 — CID 103212667

IUPACN-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(CCl)N(C)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H15ClF3NO2/c1-7(5-10)14(2)8(15)3-4-16-6-9(11,12)13/h7H,3-6H2,1-2H3
InChIKeyVMMAYQCWWRVPTR-UHFFFAOYSA-N
MW261.67 g/mol
LogP2.04
Rot. Bonds6

About N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103212667) has the molecular formula C9H15ClF3NO2 and a molecular weight of 261.67 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103212667
Molecular FormulaC9H15ClF3NO2
Molecular Weight261.67 g/mol
Exact Mass261.07
IUPAC NameN-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(CCl)N(C)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H15ClF3NO2/c1-7(5-10)14(2)8(15)3-4-16-6-9(11,12)13/h7H,3-6H2,1-2H3
InChIKeyVMMAYQCWWRVPTR-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212140
N-(1-chloro-3-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212423
N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 114243684
N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212210
ethyl 3-oxo-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentanoate
CID 103150170
N-(4-chlorobutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212622
N-(1-chloropropan-2-yl)-N,3-dimethylbutanamide
CID 104555865
ethyl 2-ethyl-3-oxo-5-(2,2,2-trifluoroethoxy)pentanoate
CID 103150167
3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide
CID 71364213
N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212868
N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209610
2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate
CID 88537702

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103212667) is N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is CC(CCl)N(C)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is VMMAYQCWWRVPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO2/c1-7(5-10)14(2)8(15)3-4-16-6-9(11,12)13/h7H,3-6H2,1-2H3.
What are the key properties of N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 261.67 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103212667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).