(5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane

C17H23F2NO2 — CID 164632167

IUPAC(5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCC1(C)CN(CCc2ccc(F)c(F)c2)C[C@@]2(CCOC2)O1
InChIInChI=1S/C17H23F2NO2/c1-16(2)10-20(11-17(22-16)6-8-21-12-17)7-5-13-3-4-14(18)15(19)9-13/h3-4,9H,5-8,10-12H2,1-2H3/t17-/m1/s1
InChIKeyZYZIUPRJWQLMOZ-QGZVFWFLSA-N
MW311.37 g/mol
LogP2.78
Rot. Bonds3

About (5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane

(5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 164632167) has the molecular formula C17H23F2NO2 and a molecular weight of 311.37 g/mol. Its IUPAC name is (5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID164632167
Molecular FormulaC17H23F2NO2
Molecular Weight311.37 g/mol
Exact Mass311.17
IUPAC Name(5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCC1(C)CN(CCc2ccc(F)c(F)c2)C[C@@]2(CCOC2)O1
InChIInChI=1S/C17H23F2NO2/c1-16(2)10-20(11-17(22-16)6-8-21-12-17)7-5-13-3-4-14(18)15(19)9-13/h3-4,9H,5-8,10-12H2,1-2H3/t17-/m1/s1
InChIKeyZYZIUPRJWQLMOZ-QGZVFWFLSA-N
XLogP2.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of (5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane (CID 164632167) is (5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for (5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane is CC1(C)CN(CCc2ccc(F)c(F)c2)C[C@@]2(CCOC2)O1.
What is the InChIKey of (5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is ZYZIUPRJWQLMOZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23F2NO2/c1-16(2)10-20(11-17(22-16)6-8-21-12-17)7-5-13-3-4-14(18)15(19)9-13/h3-4,9H,5-8,10-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane?
(5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 311.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[2-(3,4-difluorophenyl)ethyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 164632167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).