(1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine

C18H23F4NO — CID 100621949

IUPAC(1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
SMILESFC(F)C(F)(F)COCCNC1[C@H]2CC[C@H]1Cc1ccccc1C2
InChIInChI=1S/C18H23F4NO/c19-17(20)18(21,22)11-24-8-7-23-16-14-5-6-15(16)10-13-4-2-1-3-12(13)9-14/h1-4,14-17,23H,5-11H2/t14-,15-/m0/s1
InChIKeyDUCOTCLGRFXKOO-GJZGRUSLSA-N
MW345.38 g/mol
LogP3.69
Rot. Bonds7

About (1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine

(1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine (PubChem CID 100621949) has the molecular formula C18H23F4NO and a molecular weight of 345.38 g/mol. Its IUPAC name is (1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine.

Molecular Properties

Compound Name(1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
PubChem CID100621949
Molecular FormulaC18H23F4NO
Molecular Weight345.38 g/mol
Exact Mass345.17
IUPAC Name(1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
SMILESFC(F)C(F)(F)COCCNC1[C@H]2CC[C@H]1Cc1ccccc1C2
InChIInChI=1S/C18H23F4NO/c19-17(20)18(21,22)11-24-8-7-23-16-14-5-6-15(16)10-13-4-2-1-3-12(13)9-14/h1-4,14-17,23H,5-11H2/t14-,15-/m0/s1
InChIKeyDUCOTCLGRFXKOO-GJZGRUSLSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
The IUPAC name of (1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine (CID 100621949) is (1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine.
What is the SMILES notation for (1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
The canonical SMILES for (1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine is FC(F)C(F)(F)COCCNC1[C@H]2CC[C@H]1Cc1ccccc1C2.
What is the InChIKey of (1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
The InChIKey is DUCOTCLGRFXKOO-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H23F4NO/c19-17(20)18(21,22)11-24-8-7-23-16-14-5-6-15(16)10-13-4-2-1-3-12(13)9-14/h1-4,14-17,23H,5-11H2/t14-,15-/m0/s1.
What are the key properties of (1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
(1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine has a molecular weight of 345.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine is sourced from PubChem (CID 100621949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).