6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane

C15H26FN — CID 176954866

IUPAC6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane
SMILESCC(C)CC/C(=C/F)CN1CCC2(CC1)CC2
InChIInChI=1S/C15H26FN/c1-13(2)3-4-14(11-16)12-17-9-7-15(5-6-15)8-10-17/h11,13H,3-10,12H2,1-2H3/b14-11-
InChIKeyWESKYTWZWPAWJN-KAMYIIQDSA-N
MW239.38 g/mol
LogP4.15
Rot. Bonds5

About 6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane

6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane (PubChem CID 176954866) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is 6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane
PubChem CID176954866
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane
SMILESCC(C)CC/C(=C/F)CN1CCC2(CC1)CC2
InChIInChI=1S/C15H26FN/c1-13(2)3-4-14(11-16)12-17-9-7-15(5-6-15)8-10-17/h11,13H,3-10,12H2,1-2H3/b14-11-
InChIKeyWESKYTWZWPAWJN-KAMYIIQDSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-Fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 89140664
4-(5-Fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine
CID 134365582
(3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine
CID 143775541
1-(2-Ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine
CID 156518936
2,2-Difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane
CID 163675783
3-Fluoro-1-methyl-4-prop-1-en-2-ylpiperidine
CID 169633224
5-Ethyl-2,2-difluoro-4-prop-1-en-2-yl-5-azaspiro[2.5]octane
CID 169977756
(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine
CID 176568518
4-(1,1-Difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 177031700
2-Ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane
CID 177033096
3-Fluoro-1-methyl-3-prop-1-en-2-ylpiperidine
CID 177187453
(3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine
CID 178101244

Frequently Asked Questions

What is the IUPAC name of 6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane?
The IUPAC name of 6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane (CID 176954866) is 6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane?
The canonical SMILES for 6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane is CC(C)CC/C(=C/F)CN1CCC2(CC1)CC2.
What is the InChIKey of 6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane?
The InChIKey is WESKYTWZWPAWJN-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H26FN/c1-13(2)3-4-14(11-16)12-17-9-7-15(5-6-15)8-10-17/h11,13H,3-10,12H2,1-2H3/b14-11-.
What are the key properties of 6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane?
6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane has a molecular weight of 239.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane is sourced from PubChem (CID 176954866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).