1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride

C8H14F4O — CID 158258914

IUPAC1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride
SMILESCOC1CCCCC1C(F)(F)F.F
InChIInChI=1S/C8H13F3O.FH/c1-12-7-5-3-2-4-6(7)8(9,10)11;/h6-7H,2-5H2,1H3;1H
InChIKeyGHQAXAVXFVXJGF-UHFFFAOYSA-N
MW202.19 g/mol
LogP2.91
Rot. Bonds1

About 1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride

1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride (PubChem CID 158258914) has the molecular formula C8H14F4O and a molecular weight of 202.19 g/mol. Its IUPAC name is 1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride.

Molecular Properties

Compound Name1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride
PubChem CID158258914
Molecular FormulaC8H14F4O
Molecular Weight202.19 g/mol
Exact Mass202.10
IUPAC Name1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride
SMILESCOC1CCCCC1C(F)(F)F.F
InChIInChI=1S/C8H13F3O.FH/c1-12-7-5-3-2-4-6(7)8(9,10)11;/h6-7H,2-5H2,1H3;1H
InChIKeyGHQAXAVXFVXJGF-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride?
The IUPAC name of 1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride (CID 158258914) is 1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride.
What is the SMILES notation for 1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride?
The canonical SMILES for 1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride is COC1CCCCC1C(F)(F)F.F.
What is the InChIKey of 1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride?
The InChIKey is GHQAXAVXFVXJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O.FH/c1-12-7-5-3-2-4-6(7)8(9,10)11;/h6-7H,2-5H2,1H3;1H.
What are the key properties of 1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride?
1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride has a molecular weight of 202.19 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride is sourced from PubChem (CID 158258914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).