N-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide

C10H15ClF3NO2 — CID 103212595

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCC1(CCl)CC1
InChIInChI=1S/C10H15ClF3NO2/c11-5-9(2-3-9)6-15-8(16)1-4-17-7-10(12,13)14/h1-7H2,(H,15,16)
InChIKeyMMONWZYUNYHQFQ-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.09
Rot. Bonds7

About N-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103212595) has the molecular formula C10H15ClF3NO2 and a molecular weight of 273.68 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103212595
Molecular FormulaC10H15ClF3NO2
Molecular Weight273.68 g/mol
Exact Mass273.07
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCC1(CCl)CC1
InChIInChI=1S/C10H15ClF3NO2/c11-5-9(2-3-9)6-15-8(16)1-4-17-7-10(12,13)14/h1-7H2,(H,15,16)
InChIKeyMMONWZYUNYHQFQ-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.09
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103212595) is N-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is MMONWZYUNYHQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3NO2/c11-5-9(2-3-9)6-15-8(16)1-4-17-7-10(12,13)14/h1-7H2,(H,15,16).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 273.68 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103212595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).