3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol

C11H21FO — CID 58205707

IUPAC3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol
SMILESCCC1CC(C)(O)CC(F)(CC)C1
InChIInChI=1S/C11H21FO/c1-4-9-6-10(3,13)8-11(12,5-2)7-9/h9,13H,4-8H2,1-3H3
InChIKeyHHSKDTKELHJXRR-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.07
Rot. Bonds2

About 3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol

3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol (PubChem CID 58205707) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol
PubChem CID58205707
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol
SMILESCCC1CC(C)(O)CC(F)(CC)C1
InChIInChI=1S/C11H21FO/c1-4-9-6-10(3,13)8-11(12,5-2)7-9/h9,13H,4-8H2,1-3H3
InChIKeyHHSKDTKELHJXRR-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol?
The IUPAC name of 3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol (CID 58205707) is 3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol.
What is the SMILES notation for 3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol?
The canonical SMILES for 3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol is CCC1CC(C)(O)CC(F)(CC)C1.
What is the InChIKey of 3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol?
The InChIKey is HHSKDTKELHJXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c1-4-9-6-10(3,13)8-11(12,5-2)7-9/h9,13H,4-8H2,1-3H3.
What are the key properties of 3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol?
3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol has a molecular weight of 188.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-3-fluoro-1-methylcyclohexan-1-ol is sourced from PubChem (CID 58205707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).