N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine

C12H22F3NO — CID 55088631

IUPACN-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine
SMILESCCC1CCCCC1OCCNCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-2-10-5-3-4-6-11(10)17-8-7-16-9-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyTXPSLBSJVPZMQJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine

N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine (PubChem CID 55088631) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine
PubChem CID55088631
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine
SMILESCCC1CCCCC1OCCNCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-2-10-5-3-4-6-11(10)17-8-7-16-9-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyTXPSLBSJVPZMQJ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine (CID 55088631) is N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine is CCC1CCCCC1OCCNCC(F)(F)F.
What is the InChIKey of N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine?
The InChIKey is TXPSLBSJVPZMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-10-5-3-4-6-11(10)17-8-7-16-9-12(13,14)15/h10-11,16H,2-9H2,1H3.
What are the key properties of N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine?
N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 55088631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).