(7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane

C10H16FN — CID 178101728

IUPAC(7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane
SMILESCC1CC2(C/C(=C/F)CN2C)C1
InChIInChI=1S/C10H16FN/c1-8-3-10(4-8)5-9(6-11)7-12(10)2/h6,8H,3-5,7H2,1-2H3/b9-6-
InChIKeyNKTGKUNBMQGWPI-TWGQIWQCSA-N
MW169.24 g/mol
LogP2.34
Rot. Bonds

About (7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane

(7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane (PubChem CID 178101728) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name(7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane
PubChem CID178101728
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane
SMILESCC1CC2(C/C(=C/F)CN2C)C1
InChIInChI=1S/C10H16FN/c1-8-3-10(4-8)5-9(6-11)7-12(10)2/h6,8H,3-5,7H2,1-2H3/b9-6-
InChIKeyNKTGKUNBMQGWPI-TWGQIWQCSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane?
The IUPAC name of (7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane (CID 178101728) is (7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane.
What is the SMILES notation for (7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane?
The canonical SMILES for (7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane is CC1CC2(C/C(=C/F)CN2C)C1.
What is the InChIKey of (7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane?
The InChIKey is NKTGKUNBMQGWPI-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H16FN/c1-8-3-10(4-8)5-9(6-11)7-12(10)2/h6,8H,3-5,7H2,1-2H3/b9-6-.
What are the key properties of (7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane?
(7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane has a molecular weight of 169.24 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-(fluoromethylidene)-2,5-dimethyl-5-azaspiro[3.4]octane is sourced from PubChem (CID 178101728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).