[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

C12H22F3NO — CID 81011019

IUPAC[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESNCC1CCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c13-12(14,15)9-17-7-3-6-10-4-1-2-5-11(10)8-16/h10-11H,1-9,16H2
InChIKeyMVRFSLAZGLTAGG-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.11
Rot. Bonds6

About [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (PubChem CID 81011019) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
PubChem CID81011019
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESNCC1CCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c13-12(14,15)9-17-7-3-6-10-4-1-2-5-11(10)8-16/h10-11H,1-9,16H2
InChIKeyMVRFSLAZGLTAGG-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 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 ≤ 53.11
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 [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The IUPAC name of [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (CID 81011019) is [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is NCC1CCCCC1CCCOCC(F)(F)F.
What is the InChIKey of [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The InChIKey is MVRFSLAZGLTAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)9-17-7-3-6-10-4-1-2-5-11(10)8-16/h10-11H,1-9,16H2.
What are the key properties of [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is sourced from PubChem (CID 81011019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).