[1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol

C6H9F3O2 — CID 146155789

IUPAC[1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol
SMILESOCC1(CO)CC1C(F)(F)F
InChIInChI=1S/C6H9F3O2/c7-6(8,9)4-1-5(4,2-10)3-11/h4,10-11H,1-3H2
InChIKeyQUYIRJYWJBFSBX-UHFFFAOYSA-N
MW170.13 g/mol
LogP0.54
Rot. Bonds2

About [1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol

[1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol (PubChem CID 146155789) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is [1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol
PubChem CID146155789
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name[1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol
SMILESOCC1(CO)CC1C(F)(F)F
InChIInChI=1S/C6H9F3O2/c7-6(8,9)4-1-5(4,2-10)3-11/h4,10-11H,1-3H2
InChIKeyQUYIRJYWJBFSBX-UHFFFAOYSA-N
XLogP0.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol?
The IUPAC name of [1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol (CID 146155789) is [1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol is OCC1(CO)CC1C(F)(F)F.
What is the InChIKey of [1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol?
The InChIKey is QUYIRJYWJBFSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c7-6(8,9)4-1-5(4,2-10)3-11/h4,10-11H,1-3H2.
What are the key properties of [1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol?
[1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol has a molecular weight of 170.13 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol is sourced from PubChem (CID 146155789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).