oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine

C12H20F3NO — CID 105147621

IUPACoxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1CCOC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-4-2-1-3-9(10)11(16)8-5-6-17-7-8/h8-11H,1-7,16H2
InChIKeyAOXRUJBFVGEOTF-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.72
Rot. Bonds2

About oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine

oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105147621) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Nameoxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105147621
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Nameoxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1CCOC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-4-2-1-3-9(10)11(16)8-5-6-17-7-8/h8-11H,1-7,16H2
InChIKeyAOXRUJBFVGEOTF-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 105147621) is oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine is NC(C1CCOC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is AOXRUJBFVGEOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)10-4-2-1-3-9(10)11(16)8-5-6-17-7-8/h8-11H,1-7,16H2.
What are the key properties of oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine?
oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 251.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105147621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).