N-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine

C16H19ClFN — CID 43721413

IUPACN-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1cc(NC2CC3CC2C2CCCC32)ccc1Cl
InChIInChI=1S/C16H19ClFN/c17-14-5-4-10(8-15(14)18)19-16-7-9-6-13(16)12-3-1-2-11(9)12/h4-5,8-9,11-13,16,19H,1-3,6-7H2
InChIKeyCTWDGYDSGMSAEM-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.72
Rot. Bonds2

About N-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43721413) has the molecular formula C16H19ClFN and a molecular weight of 279.79 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43721413
Molecular FormulaC16H19ClFN
Molecular Weight279.79 g/mol
Exact Mass279.12
IUPAC NameN-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1cc(NC2CC3CC2C2CCCC32)ccc1Cl
InChIInChI=1S/C16H19ClFN/c17-14-5-4-10(8-15(14)18)19-16-7-9-6-13(16)12-3-1-2-11(9)12/h4-5,8-9,11-13,16,19H,1-3,6-7H2
InChIKeyCTWDGYDSGMSAEM-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 43721413) is N-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is Fc1cc(NC2CC3CC2C2CCCC32)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is CTWDGYDSGMSAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN/c17-14-5-4-10(8-15(14)18)19-16-7-9-6-13(16)12-3-1-2-11(9)12/h4-5,8-9,11-13,16,19H,1-3,6-7H2.
What are the key properties of N-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 279.79 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43721413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).