(5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene

C16H19F2NO4 — CID 25010290

IUPAC(5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene
SMILESCC(C)Oc1cc(C2=NO[C@@]3(CCOC3)C2)ccc1OC(F)F
InChIInChI=1S/C16H19F2NO4/c1-10(2)21-14-7-11(3-4-13(14)22-15(17)18)12-8-16(23-19-12)5-6-20-9-16/h3-4,7,10,15H,5-6,8-9H2,1-2H3/t16-/m0/s1
InChIKeyCHADOIBAYJNHKK-INIZCTEOSA-N
MW327.33 g/mol
LogP3.36
Rot. Bonds5

About (5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene

(5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene (PubChem CID 25010290) has the molecular formula C16H19F2NO4 and a molecular weight of 327.33 g/mol. Its IUPAC name is (5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name(5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene
PubChem CID25010290
Molecular FormulaC16H19F2NO4
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Name(5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene
SMILESCC(C)Oc1cc(C2=NO[C@@]3(CCOC3)C2)ccc1OC(F)F
InChIInChI=1S/C16H19F2NO4/c1-10(2)21-14-7-11(3-4-13(14)22-15(17)18)12-8-16(23-19-12)5-6-20-9-16/h3-4,7,10,15H,5-6,8-9H2,1-2H3/t16-/m0/s1
InChIKeyCHADOIBAYJNHKK-INIZCTEOSA-N
XLogP3.36
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
The IUPAC name of (5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene (CID 25010290) is (5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene.
What is the SMILES notation for (5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
The canonical SMILES for (5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene is CC(C)Oc1cc(C2=NO[C@@]3(CCOC3)C2)ccc1OC(F)F.
What is the InChIKey of (5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
The InChIKey is CHADOIBAYJNHKK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19F2NO4/c1-10(2)21-14-7-11(3-4-13(14)22-15(17)18)12-8-16(23-19-12)5-6-20-9-16/h3-4,7,10,15H,5-6,8-9H2,1-2H3/t16-/m0/s1.
What are the key properties of (5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
(5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene has a molecular weight of 327.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene is sourced from PubChem (CID 25010290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).