(5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane

C14H17F2NO — CID 164633921

IUPAC(5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane
SMILESFc1cccc(F)c1CN1CC[C@]2(CCOC2)C1
InChIInChI=1S/C14H17F2NO/c15-12-2-1-3-13(16)11(12)8-17-6-4-14(9-17)5-7-18-10-14/h1-3H,4-10H2/t14-/m0/s1
InChIKeyNLLHEIQIMWKRFH-AWEZNQCLSA-N
MW253.29 g/mol
LogP2.58
Rot. Bonds2

About (5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane

(5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 164633921) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is (5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane
PubChem CID164633921
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name(5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane
SMILESFc1cccc(F)c1CN1CC[C@]2(CCOC2)C1
InChIInChI=1S/C14H17F2NO/c15-12-2-1-3-13(16)11(12)8-17-6-4-14(9-17)5-7-18-10-14/h1-3H,4-10H2/t14-/m0/s1
InChIKeyNLLHEIQIMWKRFH-AWEZNQCLSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane (CID 164633921) is (5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane is Fc1cccc(F)c1CN1CC[C@]2(CCOC2)C1.
What is the InChIKey of (5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is NLLHEIQIMWKRFH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-12-2-1-3-13(16)11(12)8-17-6-4-14(9-17)5-7-18-10-14/h1-3H,4-10H2/t14-/m0/s1.
What are the key properties of (5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane?
(5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 253.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 164633921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).