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

C8H13F3O2 — CID 82713705

IUPAC1-(hydroxymethyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOCC1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3O2/c9-8(10,11)6-1-3-7(13,5-12)4-2-6/h6,12-13H,1-5H2
InChIKeyJCWYGBWRAZWRBT-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.46
Rot. Bonds1

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

1-(hydroxymethyl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 82713705) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-(hydroxymethyl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID82713705
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name1-(hydroxymethyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOCC1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3O2/c9-8(10,11)6-1-3-7(13,5-12)4-2-6/h6,12-13H,1-5H2
InChIKeyJCWYGBWRAZWRBT-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 1-(hydroxymethyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(hydroxymethyl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 82713705) is 1-(hydroxymethyl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(hydroxymethyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(hydroxymethyl)-4-(trifluoromethyl)cyclohexan-1-ol is OCC1(O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(hydroxymethyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is JCWYGBWRAZWRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c9-8(10,11)6-1-3-7(13,5-12)4-2-6/h6,12-13H,1-5H2.
What are the key properties of 1-(hydroxymethyl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(hydroxymethyl)-4-(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 1-(hydroxymethyl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 82713705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).