(5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane

C11H19F2NO — CID 129348579

IUPAC(5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCC(F)(F)CCN1CC[C@]2(CCOC2)C1
InChIInChI=1S/C11H19F2NO/c1-10(12,13)2-5-14-6-3-11(8-14)4-7-15-9-11/h2-9H2,1H3/t11-/m0/s1
InChIKeyRTEVWRMXUKSGHE-NSHDSACASA-N
MW219.27 g/mol
LogP2.14
Rot. Bonds3

About (5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane

(5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 129348579) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is (5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane
PubChem CID129348579
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name(5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCC(F)(F)CCN1CC[C@]2(CCOC2)C1
InChIInChI=1S/C11H19F2NO/c1-10(12,13)2-5-14-6-3-11(8-14)4-7-15-9-11/h2-9H2,1H3/t11-/m0/s1
InChIKeyRTEVWRMXUKSGHE-NSHDSACASA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane (CID 129348579) is (5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane is CC(F)(F)CCN1CC[C@]2(CCOC2)C1.
What is the InChIKey of (5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is RTEVWRMXUKSGHE-NSHDSACASA-N. The full InChI is InChI=1S/C11H19F2NO/c1-10(12,13)2-5-14-6-3-11(8-14)4-7-15-9-11/h2-9H2,1H3/t11-/m0/s1.
What are the key properties of (5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane?
(5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 219.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 129348579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).