1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

C12H20F3NO — CID 103215842

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)CC1CC2CCC1C2
InChIInChI=1S/C12H20F3NO/c13-12(14,15)7-17-6-11(16)5-10-4-8-1-2-9(10)3-8/h8-11H,1-7,16H2
InChIKeyLRTGPCJCUUKBRC-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.72
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215842) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215842
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)CC1CC2CCC1C2
InChIInChI=1S/C12H20F3NO/c13-12(14,15)7-17-6-11(16)5-10-4-8-1-2-9(10)3-8/h8-11H,1-7,16H2
InChIKeyLRTGPCJCUUKBRC-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215842) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is NC(COCC(F)(F)F)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is LRTGPCJCUUKBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)7-17-6-11(16)5-10-4-8-1-2-9(10)3-8/h8-11H,1-7,16H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).