N-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine

C17H20F3N — CID 43503163

IUPACN-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESFC(F)(F)c1ccc(NC2CC3CC2C2CCCC32)cc1
InChIInChI=1S/C17H20F3N/c18-17(19,20)11-4-6-12(7-5-11)21-16-9-10-8-15(16)14-3-1-2-13(10)14/h4-7,10,13-16,21H,1-3,8-9H2
InChIKeyGJXBYKKMWSKUNN-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.94
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43503163) has the molecular formula C17H20F3N and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43503163
Molecular FormulaC17H20F3N
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC NameN-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESFC(F)(F)c1ccc(NC2CC3CC2C2CCCC32)cc1
InChIInChI=1S/C17H20F3N/c18-17(19,20)11-4-6-12(7-5-11)21-16-9-10-8-15(16)14-3-1-2-13(10)14/h4-7,10,13-16,21H,1-3,8-9H2
InChIKeyGJXBYKKMWSKUNN-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 43503163) is N-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine is FC(F)(F)c1ccc(NC2CC3CC2C2CCCC32)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is GJXBYKKMWSKUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N/c18-17(19,20)11-4-6-12(7-5-11)21-16-9-10-8-15(16)14-3-1-2-13(10)14/h4-7,10,13-16,21H,1-3,8-9H2.
What are the key properties of N-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 295.35 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43503163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).