N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine

C10H17ClF3NO — CID 63387377

IUPACN-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
SMILESFC(F)(F)COCCCN(CCCl)C1CC1
InChIInChI=1S/C10H17ClF3NO/c11-4-6-15(9-2-3-9)5-1-7-16-8-10(12,13)14/h9H,1-8H2
InChIKeyDTEZFMCEQHGSMN-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.66
Rot. Bonds8

About N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine

N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine (PubChem CID 63387377) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
PubChem CID63387377
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC NameN-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
SMILESFC(F)(F)COCCCN(CCCl)C1CC1
InChIInChI=1S/C10H17ClF3NO/c11-4-6-15(9-2-3-9)5-1-7-16-8-10(12,13)14/h9H,1-8H2
InChIKeyDTEZFMCEQHGSMN-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine?
The IUPAC name of N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine (CID 63387377) is N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine is FC(F)(F)COCCCN(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine?
The InChIKey is DTEZFMCEQHGSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c11-4-6-15(9-2-3-9)5-1-7-16-8-10(12,13)14/h9H,1-8H2.
What are the key properties of N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine?
N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine has a molecular weight of 259.70 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine is sourced from PubChem (CID 63387377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).