1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol

C11H20F2O — CID 155261716

IUPAC1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol
SMILESCC(C)(C)C1CCCC1C(O)C(F)F
InChIInChI=1S/C11H20F2O/c1-11(2,3)8-6-4-5-7(8)9(14)10(12)13/h7-10,14H,4-6H2,1-3H3
InChIKeyQZHYLROTUOXGOM-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.07
Rot. Bonds2

About 1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol

1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol (PubChem CID 155261716) has the molecular formula C11H20F2O and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol
PubChem CID155261716
Molecular FormulaC11H20F2O
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol
SMILESCC(C)(C)C1CCCC1C(O)C(F)F
InChIInChI=1S/C11H20F2O/c1-11(2,3)8-6-4-5-7(8)9(14)10(12)13/h7-10,14H,4-6H2,1-3H3
InChIKeyQZHYLROTUOXGOM-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol?
The IUPAC name of 1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol (CID 155261716) is 1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol?
The canonical SMILES for 1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol is CC(C)(C)C1CCCC1C(O)C(F)F.
What is the InChIKey of 1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol?
The InChIKey is QZHYLROTUOXGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O/c1-11(2,3)8-6-4-5-7(8)9(14)10(12)13/h7-10,14H,4-6H2,1-3H3.
What are the key properties of 1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol?
1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol has a molecular weight of 206.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol is sourced from PubChem (CID 155261716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).