N-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine

C13H20F3N — CID 63226340

IUPACN-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFC(F)(F)CCNC1CC2CC1C1CCCC21
InChIInChI=1S/C13H20F3N/c14-13(15,16)4-5-17-12-7-8-6-11(12)10-3-1-2-9(8)10/h8-12,17H,1-7H2
InChIKeySEHOFCVIBJUWQO-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.35
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 63226340) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID63226340
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC NameN-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFC(F)(F)CCNC1CC2CC1C1CCCC21
InChIInChI=1S/C13H20F3N/c14-13(15,16)4-5-17-12-7-8-6-11(12)10-3-1-2-9(8)10/h8-12,17H,1-7H2
InChIKeySEHOFCVIBJUWQO-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 63226340) is N-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine is FC(F)(F)CCNC1CC2CC1C1CCCC21.
What is the InChIKey of N-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is SEHOFCVIBJUWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N/c14-13(15,16)4-5-17-12-7-8-6-11(12)10-3-1-2-9(8)10/h8-12,17H,1-7H2.
What are the key properties of N-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 247.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 63226340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).