4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol

C8H13F3O2 — CID 84733583

IUPAC4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESOCC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3O2/c9-8(10,11)7(13)3-1-6(5-12)2-4-7/h6,12-13H,1-5H2
InChIKeyWIWASISSZQDIKX-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.46
Rot. Bonds1

About 4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol

4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 84733583) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID84733583
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESOCC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3O2/c9-8(10,11)7(13)3-1-6(5-12)2-4-7/h6,12-13H,1-5H2
InChIKeyWIWASISSZQDIKX-UHFFFAOYSA-N
XLogP1.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol (CID 84733583) is 4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol is OCC1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WIWASISSZQDIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c9-8(10,11)7(13)3-1-6(5-12)2-4-7/h6,12-13H,1-5H2.
What are the key properties of 4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 198.18 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 84733583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).