(5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane

C9H14FNO — CID 177009296

IUPAC(5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane
SMILESCN1CC/C(=C\F)C2(COC2)C1
InChIInChI=1S/C9H14FNO/c1-11-3-2-8(4-10)9(5-11)6-12-7-9/h4H,2-3,5-7H2,1H3/b8-4+
InChIKeyCWGGZUSTKTWVFN-XBXARRHUSA-N
MW171.21 g/mol
LogP1.19
Rot. Bonds

About (5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane

(5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane (PubChem CID 177009296) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is (5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane
PubChem CID177009296
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name(5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane
SMILESCN1CC/C(=C\F)C2(COC2)C1
InChIInChI=1S/C9H14FNO/c1-11-3-2-8(4-10)9(5-11)6-12-7-9/h4H,2-3,5-7H2,1H3/b8-4+
InChIKeyCWGGZUSTKTWVFN-XBXARRHUSA-N
XLogP1.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 170959093
[(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol
CID 171479032
[(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 171479033
[(4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 174208146
[4-(Fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 174208477
[(4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol
CID 175554849
[1-Ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol
CID 175554851
[(4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 175554869
(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine
CID 176568100
(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine
CID 176568541
(3S,4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine
CID 176661082
(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine
CID 176926490

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of (5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane (CID 177009296) is (5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for (5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for (5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane is CN1CC/C(=C\F)C2(COC2)C1.
What is the InChIKey of (5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane?
The InChIKey is CWGGZUSTKTWVFN-XBXARRHUSA-N. The full InChI is InChI=1S/C9H14FNO/c1-11-3-2-8(4-10)9(5-11)6-12-7-9/h4H,2-3,5-7H2,1H3/b8-4+.
What are the key properties of (5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane?
(5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane has a molecular weight of 171.21 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 177009296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).