N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

C11H17ClF3NO2 — CID 103212210

IUPACN-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(CC1CC(Cl)C1)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H17ClF3NO2/c1-16(6-8-4-9(12)5-8)10(17)2-3-18-7-11(13,14)15/h8-9H,2-7H2,1H3
InChIKeyRBLQOAQJPPHUIC-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.43
Rot. Bonds6

About N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103212210) has the molecular formula C11H17ClF3NO2 and a molecular weight of 287.71 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103212210
Molecular FormulaC11H17ClF3NO2
Molecular Weight287.71 g/mol
Exact Mass287.09
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(CC1CC(Cl)C1)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H17ClF3NO2/c1-16(6-8-4-9(12)5-8)10(17)2-3-18-7-11(13,14)15/h8-9H,2-7H2,1H3
InChIKeyRBLQOAQJPPHUIC-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.43
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'}

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Related Compounds

N-(2-chloroethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212140
N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 114243684
N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212667
N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209610
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205414
N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212868
3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide
CID 112739036
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005406
N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205532
3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide
CID 71364213
N-[(3-chlorocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106121284
N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide
CID 82788019

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103212210) is N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is CN(CC1CC(Cl)C1)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is RBLQOAQJPPHUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF3NO2/c1-16(6-8-4-9(12)5-8)10(17)2-3-18-7-11(13,14)15/h8-9H,2-7H2,1H3.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 287.71 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103212210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).