N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine

C10H19ClF3NO2 — CID 107489026

IUPACN-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine
SMILESCOCCCOCCN(CCCl)CC(F)(F)F
InChIInChI=1S/C10H19ClF3NO2/c1-16-6-2-7-17-8-5-15(4-3-11)9-10(12,13)14/h2-9H2,1H3
InChIKeyMPICUUFSXLYBIF-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.14
Rot. Bonds10

About N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine

N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine (PubChem CID 107489026) has the molecular formula C10H19ClF3NO2 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine
PubChem CID107489026
Molecular FormulaC10H19ClF3NO2
Molecular Weight277.71 g/mol
Exact Mass277.11
IUPAC NameN-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine
SMILESCOCCCOCCN(CCCl)CC(F)(F)F
InChIInChI=1S/C10H19ClF3NO2/c1-16-6-2-7-17-8-5-15(4-3-11)9-10(12,13)14/h2-9H2,1H3
InChIKeyMPICUUFSXLYBIF-UHFFFAOYSA-N
XLogP2.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
CID 107488954
N-(2-bromoethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 107488353
N'-(2-chloroethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 107488929
N-(2-chloroethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]butan-1-amine
CID 113427470
N-(2-chloroethyl)-2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 107487831
N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine
CID 103183958
1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 103182794
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
N-(2-chloroethyl)-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 103412998
3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 103184049
N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine
CID 107488814
N-(2-chloroethyl)-3-phenoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107489214

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine?
The IUPAC name of N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine (CID 107489026) is N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine is COCCCOCCN(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine?
The InChIKey is MPICUUFSXLYBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClF3NO2/c1-16-6-2-7-17-8-5-15(4-3-11)9-10(12,13)14/h2-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine?
N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine has a molecular weight of 277.71 g/mol, XLogP of 2.14, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine is sourced from PubChem (CID 107489026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).