3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol

C10H14F6O — CID 58937634

IUPAC3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC1(F)CC(C)CC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10H14F6O/c1-3-7(11)4-6(2)5-8(17,9(7,12)13)10(14,15)16/h6,17H,3-5H2,1-2H3
InChIKeyJXLPTSJOXDUWRV-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.46
Rot. Bonds1

About 3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol

3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 58937634) has the molecular formula C10H14F6O and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID58937634
Molecular FormulaC10H14F6O
Molecular Weight264.21 g/mol
Exact Mass264.09
IUPAC Name3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC1(F)CC(C)CC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10H14F6O/c1-3-7(11)4-6(2)5-8(17,9(7,12)13)10(14,15)16/h6,17H,3-5H2,1-2H3
InChIKeyJXLPTSJOXDUWRV-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol (CID 58937634) is 3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol is CCC1(F)CC(C)CC(O)(C(F)(F)F)C1(F)F.
What is the InChIKey of 3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is JXLPTSJOXDUWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6O/c1-3-7(11)4-6(2)5-8(17,9(7,12)13)10(14,15)16/h6,17H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol?
3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 264.21 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 58937634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).