[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

C12H22F3NO — CID 55036534

IUPAC[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-2-3-10-4-6-11(8-16,7-5-10)17-9-12(13,14)15/h10H,2-9,16H2,1H3
InChIKeyWIIYBNVCBXAKBS-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.25
Rot. Bonds5

About [4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 55036534) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is [4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID55036534
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-2-3-10-4-6-11(8-16,7-5-10)17-9-12(13,14)15/h10H,2-9,16H2,1H3
InChIKeyWIIYBNVCBXAKBS-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 55036534) is [4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is CCCC1CCC(CN)(OCC(F)(F)F)CC1.
What is the InChIKey of [4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is WIIYBNVCBXAKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-3-10-4-6-11(8-16,7-5-10)17-9-12(13,14)15/h10H,2-9,16H2,1H3.
What are the key properties of [4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 55036534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).