5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol

C10H16F2O — CID 172542244

IUPAC5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol
SMILESCC(C)(C)C1(O)CC2(CC2(F)F)C1
InChIInChI=1S/C10H16F2O/c1-7(2,3)9(13)4-8(5-9)6-10(8,11)12/h13H,4-6H2,1-3H3
InChIKeyAELPKCLEBDARNN-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.58
Rot. Bonds

About 5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol

5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol (PubChem CID 172542244) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol.

Molecular Properties

Compound Name5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol
PubChem CID172542244
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol
SMILESCC(C)(C)C1(O)CC2(CC2(F)F)C1
InChIInChI=1S/C10H16F2O/c1-7(2,3)9(13)4-8(5-9)6-10(8,11)12/h13H,4-6H2,1-3H3
InChIKeyAELPKCLEBDARNN-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol?
The IUPAC name of 5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol (CID 172542244) is 5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol.
What is the SMILES notation for 5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol?
The canonical SMILES for 5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol is CC(C)(C)C1(O)CC2(CC2(F)F)C1.
What is the InChIKey of 5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol?
The InChIKey is AELPKCLEBDARNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-7(2,3)9(13)4-8(5-9)6-10(8,11)12/h13H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol?
5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol has a molecular weight of 190.23 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol is sourced from PubChem (CID 172542244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).