(2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine

C14H10F3NO — CID 139186417

IUPAC(2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine
SMILESCOc1ccc2cc(C3=N[C@@H]3C(F)(F)F)ccc2c1
InChIInChI=1S/C14H10F3NO/c1-19-11-5-4-8-6-10(3-2-9(8)7-11)12-13(18-12)14(15,16)17/h2-7,13H,1H3/t13-/m0/s1
InChIKeyRRUCAAJSJDCXHU-ZDUSSCGKSA-N
MW265.23 g/mol
LogP3.58
Rot. Bonds2

About (2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine

(2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine (PubChem CID 139186417) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is (2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine.

Molecular Properties

Compound Name(2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine
PubChem CID139186417
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name(2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine
SMILESCOc1ccc2cc(C3=N[C@@H]3C(F)(F)F)ccc2c1
InChIInChI=1S/C14H10F3NO/c1-19-11-5-4-8-6-10(3-2-9(8)7-11)12-13(18-12)14(15,16)17/h2-7,13H,1H3/t13-/m0/s1
InChIKeyRRUCAAJSJDCXHU-ZDUSSCGKSA-N
XLogP3.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine?
The IUPAC name of (2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine (CID 139186417) is (2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine.
What is the SMILES notation for (2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine?
The canonical SMILES for (2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine is COc1ccc2cc(C3=N[C@@H]3C(F)(F)F)ccc2c1.
What is the InChIKey of (2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine?
The InChIKey is RRUCAAJSJDCXHU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H10F3NO/c1-19-11-5-4-8-6-10(3-2-9(8)7-11)12-13(18-12)14(15,16)17/h2-7,13H,1H3/t13-/m0/s1.
What are the key properties of (2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine?
(2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine has a molecular weight of 265.23 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(6-methoxynaphthalen-2-yl)-2-(trifluoromethyl)-2H-azirine is sourced from PubChem (CID 139186417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).