2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine

C11H20F3NO — CID 43752922

IUPAC2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine
SMILESCCC1CCCCC1OC(CN)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-2-8-5-3-4-6-9(8)16-10(7-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyWLDJJOFAMUFDNL-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.86
Rot. Bonds4

About 2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine

2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine (PubChem CID 43752922) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine
PubChem CID43752922
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine
SMILESCCC1CCCCC1OC(CN)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-2-8-5-3-4-6-9(8)16-10(7-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyWLDJJOFAMUFDNL-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-Methylcyclohexyl)oxy]ethan-1-amine
CID 20114360
2-Cyclohexyl-2-ethoxyethan-1-amine
CID 66073405
2-(4,4-Difluorocyclohexyl)-2-ethoxyethan-1-amine hydrochloride
CID 155821550
(2R,3R)-3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine
CID 164604710
2-[3-(1,1-Difluoroethyl)cyclohexyl]oxyethanamine
CID 170263462
3-(Cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine
CID 175494949
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741
[2-(2,2,3,3-Tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428924
3,3,3-Trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine
CID 43752921
3,3,3-Trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
CID 43752924
3,3,3-Trifluoro-2-(2-methylcyclohexyl)oxypropan-1-amine
CID 43752925
2-(2-Ethylhexoxy)-3,3,3-trifluoropropan-1-amine
CID 43752959

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine (CID 43752922) is 2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine is CCC1CCCCC1OC(CN)C(F)(F)F.
What is the InChIKey of 2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine?
The InChIKey is WLDJJOFAMUFDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-8-5-3-4-6-9(8)16-10(7-15)11(12,13)14/h8-10H,2-7,15H2,1H3.
What are the key properties of 2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine?
2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43752922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).