N-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine

C11H20F3NO — CID 64553352

IUPACN-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCCOC1CCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)6-7-15-8-9-16-10-4-2-1-3-5-10/h10,15H,1-9H2
InChIKeyIJEBUEOXLPMIKA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds6

About N-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine

N-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 64553352) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID64553352
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCCOC1CCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)6-7-15-8-9-16-10-4-2-1-3-5-10/h10,15H,1-9H2
InChIKeyIJEBUEOXLPMIKA-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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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Related Compounds

2-(4,4-difluoropentoxy)-N-methylpropan-1-amine
CID 91242229
3-(3-Fluorocyclohexyl)oxyazetidine
CID 146300097
3-cyclohexyloxy-2,2-difluoro-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 161409714
5,5-Difluoro-2-(propan-2-yloxymethyl)piperidine
CID 176568305
1-[(2S)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium
CID 6986853
1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium
CID 6986854
2,2,2-trifluoro-N-(oxan-2-ylmethyl)ethanamine
CID 43403679
2-Cyclohexyloxy-3,3,3-trifluoropropan-1-amine
CID 43752844
2-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43755109
N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54941853
2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55093172
1-Cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729374

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine (CID 64553352) is N-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine is FC(F)(F)CCNCCOC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is IJEBUEOXLPMIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)6-7-15-8-9-16-10-4-2-1-3-5-10/h10,15H,1-9H2.
What are the key properties of N-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine?
N-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 64553352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).