N-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine

C17H20F3N — CID 43503145

IUPACN-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESFC(F)(F)c1ccccc1NC1CC2CC1C1CCCC21
InChIInChI=1S/C17H20F3N/c18-17(19,20)14-6-1-2-7-15(14)21-16-9-10-8-13(16)12-5-3-4-11(10)12/h1-2,6-7,10-13,16,21H,3-5,8-9H2
InChIKeyZEEDBJDHBHCWMA-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.94
Rot. Bonds2

About N-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43503145) has the molecular formula C17H20F3N and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43503145
Molecular FormulaC17H20F3N
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC NameN-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESFC(F)(F)c1ccccc1NC1CC2CC1C1CCCC21
InChIInChI=1S/C17H20F3N/c18-17(19,20)14-6-1-2-7-15(14)21-16-9-10-8-13(16)12-5-3-4-11(10)12/h1-2,6-7,10-13,16,21H,3-5,8-9H2
InChIKeyZEEDBJDHBHCWMA-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-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 43503145) is N-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine is FC(F)(F)c1ccccc1NC1CC2CC1C1CCCC21.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is ZEEDBJDHBHCWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N/c18-17(19,20)14-6-1-2-7-15(14)21-16-9-10-8-13(16)12-5-3-4-11(10)12/h1-2,6-7,10-13,16,21H,3-5,8-9H2.
What are the key properties of N-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[2-(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-[2-(trifluoromethyl)phenyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43503145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).