[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol

C7H9F3O — CID 146155730

IUPAC[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol
SMILESOCC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C7H9F3O/c8-7(9,10)6-1-5(2-6,3-6)4-11/h11H,1-4H2
InChIKeyZGRANUGXRWNZJV-UHFFFAOYSA-N
MW166.14 g/mol
LogP1.71
Rot. Bonds1

About [3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol

[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol (PubChem CID 146155730) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol
PubChem CID146155730
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol
SMILESOCC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C7H9F3O/c8-7(9,10)6-1-5(2-6,3-6)4-11/h11H,1-4H2
InChIKeyZGRANUGXRWNZJV-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol?
The IUPAC name of [3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol (CID 146155730) is [3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol.
What is the SMILES notation for [3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol?
The canonical SMILES for [3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol is OCC12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of [3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol?
The InChIKey is ZGRANUGXRWNZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c8-7(9,10)6-1-5(2-6,3-6)4-11/h11H,1-4H2.
What are the key properties of [3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol?
[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol has a molecular weight of 166.14 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol is sourced from PubChem (CID 146155730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).