2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol

C10H17F3O2 — CID 79857746

IUPAC2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol
SMILESCC(OC1CCC(C)(C)C1O)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-6(10(11,12)13)15-7-4-5-9(2,3)8(7)14/h6-8,14H,4-5H2,1-3H3
InChIKeyVMQUWUBZPFMFCS-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.50
Rot. Bonds2

About 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol

2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol (PubChem CID 79857746) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol
PubChem CID79857746
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol
SMILESCC(OC1CCC(C)(C)C1O)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-6(10(11,12)13)15-7-4-5-9(2,3)8(7)14/h6-8,14H,4-5H2,1-3H3
InChIKeyVMQUWUBZPFMFCS-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol (CID 79857746) is 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol is CC(OC1CCC(C)(C)C1O)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol?
The InChIKey is VMQUWUBZPFMFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-6(10(11,12)13)15-7-4-5-9(2,3)8(7)14/h6-8,14H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol?
2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol has a molecular weight of 226.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)cyclopentan-1-ol is sourced from PubChem (CID 79857746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).