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

C10H17F3O3 — CID 121279380

IUPAC4-(hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCOCC1(CO)CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3O3/c1-16-7-8(6-14)2-4-9(15,5-3-8)10(11,12)13/h14-15H,2-7H2,1H3
InChIKeySZMREKBTXGPNPC-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.48
Rot. Bonds3

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

4-(hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 121279380) has the molecular formula C10H17F3O3 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-(hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID121279380
Molecular FormulaC10H17F3O3
Molecular Weight242.24 g/mol
Exact Mass242.11
IUPAC Name4-(hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCOCC1(CO)CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3O3/c1-16-7-8(6-14)2-4-9(15,5-3-8)10(11,12)13/h14-15H,2-7H2,1H3
InChIKeySZMREKBTXGPNPC-UHFFFAOYSA-N
XLogP1.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-(hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol (CID 121279380) is 4-(hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol is COCC1(CO)CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-(hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is SZMREKBTXGPNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O3/c1-16-7-8(6-14)2-4-9(15,5-3-8)10(11,12)13/h14-15H,2-7H2,1H3.
What are the key properties of 4-(hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
4-(hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 242.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 121279380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).