N-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine

C12H22F3NO — CID 115513716

IUPACN-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNCCOC1CCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)7-4-8-16-9-10-17-11-5-2-1-3-6-11/h11,16H,1-10H2
InChIKeyWFMAEKYIDUULND-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds7

About N-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine

N-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 115513716) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine
PubChem CID115513716
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNCCOC1CCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)7-4-8-16-9-10-17-11-5-2-1-3-6-11/h11,16H,1-10H2
InChIKeyWFMAEKYIDUULND-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
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-cyclohexyloxy-2,2-difluoro-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 161409714
1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine
CID 171531417
2-(2-Cyclohexyloxyethyl)-2-fluoromorpholine
CID 175482464
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
N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089574

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine (CID 115513716) is N-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine is FC(F)(F)CCCNCCOC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is WFMAEKYIDUULND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)7-4-8-16-9-10-17-11-5-2-1-3-6-11/h11,16H,1-10H2.
What are the key properties of N-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine?
N-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 115513716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).