ethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine

C11H12F3NO — CID 153355606

IUPACethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine
SMILESC=C1OCc2ccc(C(F)(F)F)nc21.CC
InChIInChI=1S/C9H6F3NO.C2H6/c1-5-8-6(4-14-5)2-3-7(13-8)9(10,11)12;1-2/h2-3H,1,4H2;1-2H3
InChIKeyAQFULDIESWVKKK-UHFFFAOYSA-N
MW231.22 g/mol
LogP3.63
Rot. Bonds

About ethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine

ethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine (PubChem CID 153355606) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is ethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine.

Molecular Properties

Compound Nameethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine
PubChem CID153355606
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Nameethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine
SMILESC=C1OCc2ccc(C(F)(F)F)nc21.CC
InChIInChI=1S/C9H6F3NO.C2H6/c1-5-8-6(4-14-5)2-3-7(13-8)9(10,11)12;1-2/h2-3H,1,4H2;1-2H3
InChIKeyAQFULDIESWVKKK-UHFFFAOYSA-N
XLogP3.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine?
The IUPAC name of ethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine (CID 153355606) is ethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine.
What is the SMILES notation for ethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine?
The canonical SMILES for ethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine is C=C1OCc2ccc(C(F)(F)F)nc21.CC.
What is the InChIKey of ethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine?
The InChIKey is AQFULDIESWVKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO.C2H6/c1-5-8-6(4-14-5)2-3-7(13-8)9(10,11)12;1-2/h2-3H,1,4H2;1-2H3.
What are the key properties of ethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine?
ethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine has a molecular weight of 231.22 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methylidene-2-(trifluoromethyl)-5H-furo[3,4-b]pyridine is sourced from PubChem (CID 153355606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).