N-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C11H20F3NO — CID 60732573

IUPACN-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)9-16-7-6-15-8-10-4-2-1-3-5-10/h10,15H,1-9H2
InChIKeySBCWBCMPPHUUAT-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.74
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 60732573) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID60732573
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)9-16-7-6-15-8-10-4-2-1-3-5-10/h10,15H,1-9H2
InChIKeySBCWBCMPPHUUAT-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.74
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-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 60732573) is N-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is SBCWBCMPPHUUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)9-16-7-6-15-8-10-4-2-1-3-5-10/h10,15H,1-9H2.
What are the key properties of N-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 239.28 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 60732573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).