N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine

C12H23ClF3N — CID 107489217

IUPACN-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
SMILESCCCCC(CC)CN(CCCl)CC(F)(F)F
InChIInChI=1S/C12H23ClF3N/c1-3-5-6-11(4-2)9-17(8-7-13)10-12(14,15)16/h11H,3-10H2,1-2H3
InChIKeyJYALIJJOGHQQSB-UHFFFAOYSA-N
MW273.77 g/mol
LogP4.31
Rot. Bonds9

About N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine

N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine (PubChem CID 107489217) has the molecular formula C12H23ClF3N and a molecular weight of 273.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
PubChem CID107489217
Molecular FormulaC12H23ClF3N
Molecular Weight273.77 g/mol
Exact Mass273.15
IUPAC NameN-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
SMILESCCCCC(CC)CN(CCCl)CC(F)(F)F
InChIInChI=1S/C12H23ClF3N/c1-3-5-6-11(4-2)9-17(8-7-13)10-12(14,15)16/h11H,3-10H2,1-2H3
InChIKeyJYALIJJOGHQQSB-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine?
The IUPAC name of N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine (CID 107489217) is N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine is CCCCC(CC)CN(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine?
The InChIKey is JYALIJJOGHQQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClF3N/c1-3-5-6-11(4-2)9-17(8-7-13)10-12(14,15)16/h11H,3-10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine?
N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine has a molecular weight of 273.77 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine is sourced from PubChem (CID 107489217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).