2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane

C10H18FN — CID 163367679

IUPAC2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane
SMILESCC(C)C1(C)CC2(CN(F)C2)C1
InChIInChI=1S/C10H18FN/c1-8(2)9(3)4-10(5-9)6-12(11)7-10/h8H,4-7H2,1-3H3
InChIKeyOFTYTAWZLQRRIA-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.63
Rot. Bonds1

About 2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane

2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane (PubChem CID 163367679) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane
PubChem CID163367679
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane
SMILESCC(C)C1(C)CC2(CN(F)C2)C1
InChIInChI=1S/C10H18FN/c1-8(2)9(3)4-10(5-9)6-12(11)7-10/h8H,4-7H2,1-3H3
InChIKeyOFTYTAWZLQRRIA-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane?
The IUPAC name of 2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane (CID 163367679) is 2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane is CC(C)C1(C)CC2(CN(F)C2)C1.
What is the InChIKey of 2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane?
The InChIKey is OFTYTAWZLQRRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)9(3)4-10(5-9)6-12(11)7-10/h8H,4-7H2,1-3H3.
What are the key properties of 2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane?
2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane has a molecular weight of 171.26 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 163367679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).