N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine

C12H20F3NO — CID 43747388

IUPACN-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
SMILESFC(F)(F)C1CCCC(NC2CCOCC2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-2-1-3-11(8-9)16-10-4-6-17-7-5-10/h9-11,16H,1-8H2
InChIKeyFJOUJPOPCSACCJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.88
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine

N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine (PubChem CID 43747388) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
PubChem CID43747388
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
SMILESFC(F)(F)C1CCCC(NC2CCOCC2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-2-1-3-11(8-9)16-10-4-6-17-7-5-10/h9-11,16H,1-8H2
InChIKeyFJOUJPOPCSACCJ-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine (CID 43747388) is N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine is FC(F)(F)C1CCCC(NC2CCOCC2)C1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine?
The InChIKey is FJOUJPOPCSACCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)9-2-1-3-11(8-9)16-10-4-6-17-7-5-10/h9-11,16H,1-8H2.
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine?
N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine has a molecular weight of 251.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine is sourced from PubChem (CID 43747388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).