7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane

C14H17F2NO — CID 136540584

IUPAC7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane
SMILESFc1ccc(CN2CCC3(CCO3)CC2)cc1F
InChIInChI=1S/C14H17F2NO/c15-12-2-1-11(9-13(12)16)10-17-6-3-14(4-7-17)5-8-18-14/h1-2,9H,3-8,10H2
InChIKeyFOGLRHKHWXOTSR-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.72
Rot. Bonds2

About 7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane

7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane (PubChem CID 136540584) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane
PubChem CID136540584
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane
SMILESFc1ccc(CN2CCC3(CCO3)CC2)cc1F
InChIInChI=1S/C14H17F2NO/c15-12-2-1-11(9-13(12)16)10-17-6-3-14(4-7-17)5-8-18-14/h1-2,9H,3-8,10H2
InChIKeyFOGLRHKHWXOTSR-UHFFFAOYSA-N
XLogP2.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane (CID 136540584) is 7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane is Fc1ccc(CN2CCC3(CCO3)CC2)cc1F.
What is the InChIKey of 7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane?
The InChIKey is FOGLRHKHWXOTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-12-2-1-11(9-13(12)16)10-17-6-3-14(4-7-17)5-8-18-14/h1-2,9H,3-8,10H2.
What are the key properties of 7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane?
7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane has a molecular weight of 253.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 136540584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).