2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol

C13H13F2NO4 — CID 25008564

IUPAC2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol
SMILESOc1cc(C2=NO[C@]3(CCOC3)C2)ccc1OC(F)F
InChIInChI=1S/C13H13F2NO4/c14-12(15)19-11-2-1-8(5-10(11)17)9-6-13(20-16-9)3-4-18-7-13/h1-2,5,12,17H,3-4,6-7H2/t13-/m1/s1
InChIKeyBHTUDTDVIWMCQM-CYBMUJFWSA-N
MW285.25 g/mol
LogP2.28
Rot. Bonds3

About 2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol

2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol (PubChem CID 25008564) has the molecular formula C13H13F2NO4 and a molecular weight of 285.25 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol
PubChem CID25008564
Molecular FormulaC13H13F2NO4
Molecular Weight285.25 g/mol
Exact Mass285.08
IUPAC Name2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol
SMILESOc1cc(C2=NO[C@]3(CCOC3)C2)ccc1OC(F)F
InChIInChI=1S/C13H13F2NO4/c14-12(15)19-11-2-1-8(5-10(11)17)9-6-13(20-16-9)3-4-18-7-13/h1-2,5,12,17H,3-4,6-7H2/t13-/m1/s1
InChIKeyBHTUDTDVIWMCQM-CYBMUJFWSA-N
XLogP2.28
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol?
The IUPAC name of 2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol (CID 25008564) is 2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol.
What is the SMILES notation for 2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol?
The canonical SMILES for 2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol is Oc1cc(C2=NO[C@]3(CCOC3)C2)ccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol?
The InChIKey is BHTUDTDVIWMCQM-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H13F2NO4/c14-12(15)19-11-2-1-8(5-10(11)17)9-6-13(20-16-9)3-4-18-7-13/h1-2,5,12,17H,3-4,6-7H2/t13-/m1/s1.
What are the key properties of 2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol?
2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol has a molecular weight of 285.25 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol is sourced from PubChem (CID 25008564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).