(2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane

C11H19F — CID 174314849

IUPAC(2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane
SMILESCC(C)(C)[C@]1(CF)CC12CCC2
InChIInChI=1S/C11H19F/c1-9(2,3)11(8-12)7-10(11)5-4-6-10/h4-8H2,1-3H3/t11-/m1/s1
InChIKeySPYYJUISIBBFAS-LLVKDONJSA-N
MW170.27 g/mol
LogP3.56
Rot. Bonds1

About (2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane

(2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane (PubChem CID 174314849) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is (2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane.

Molecular Properties

Compound Name(2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane
PubChem CID174314849
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Name(2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane
SMILESCC(C)(C)[C@]1(CF)CC12CCC2
InChIInChI=1S/C11H19F/c1-9(2,3)11(8-12)7-10(11)5-4-6-10/h4-8H2,1-3H3/t11-/m1/s1
InChIKeySPYYJUISIBBFAS-LLVKDONJSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane?
The IUPAC name of (2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane (CID 174314849) is (2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane.
What is the SMILES notation for (2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane?
The canonical SMILES for (2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane is CC(C)(C)[C@]1(CF)CC12CCC2.
What is the InChIKey of (2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane?
The InChIKey is SPYYJUISIBBFAS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H19F/c1-9(2,3)11(8-12)7-10(11)5-4-6-10/h4-8H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane?
(2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane has a molecular weight of 170.27 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane is sourced from PubChem (CID 174314849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).