(2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene

C19H32FN — CID 176829744

IUPAC(2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=C(C(C)C)C2(CCN(C(C)C)CC2)C/C1=C\F
InChIInChI=1S/C19H32FN/c1-13(2)17-16(12-20)11-19(18(17)14(3)4)7-9-21(10-8-19)15(5)6/h12-15H,7-11H2,1-6H3/b16-12+
InChIKeyGXUDBZTUKIKEOP-FOWTUZBSSA-N
MW293.47 g/mol
LogP5.34
Rot. Bonds3

About (2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene

(2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene (PubChem CID 176829744) has the molecular formula C19H32FN and a molecular weight of 293.47 g/mol. Its IUPAC name is (2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name(2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
PubChem CID176829744
Molecular FormulaC19H32FN
Molecular Weight293.47 g/mol
Exact Mass293.25
IUPAC Name(2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=C(C(C)C)C2(CCN(C(C)C)CC2)C/C1=C\F
InChIInChI=1S/C19H32FN/c1-13(2)17-16(12-20)11-19(18(17)14(3)4)7-9-21(10-8-19)15(5)6/h12-15H,7-11H2,1-6H3/b16-12+
InChIKeyGXUDBZTUKIKEOP-FOWTUZBSSA-N
XLogP5.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of (2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene (CID 176829744) is (2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for (2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for (2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene is CC(C)C1=C(C(C)C)C2(CCN(C(C)C)CC2)C/C1=C\F.
What is the InChIKey of (2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The InChIKey is GXUDBZTUKIKEOP-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H32FN/c1-13(2)17-16(12-20)11-19(18(17)14(3)4)7-9-21(10-8-19)15(5)6/h12-15H,7-11H2,1-6H3/b16-12+.
What are the key properties of (2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
(2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene has a molecular weight of 293.47 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 176829744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).