3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol

C14H21F7O2 — CID 10043678

IUPAC3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol
SMILESCCOC(C(C)O)(C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F7O2/c1-3-23-11(9(2)22,10-7-5-4-6-8-10)12(15,16)13(17,18)14(19,20)21/h9-10,22H,3-8H2,1-2H3
InChIKeyBQFIYMSQJKREBQ-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.56
Rot. Bonds6

About 3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol

3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol (PubChem CID 10043678) has the molecular formula C14H21F7O2 and a molecular weight of 354.31 g/mol. Its IUPAC name is 3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol.

Molecular Properties

Compound Name3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol
PubChem CID10043678
Molecular FormulaC14H21F7O2
Molecular Weight354.31 g/mol
Exact Mass354.14
IUPAC Name3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol
SMILESCCOC(C(C)O)(C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F7O2/c1-3-23-11(9(2)22,10-7-5-4-6-8-10)12(15,16)13(17,18)14(19,20)21/h9-10,22H,3-8H2,1-2H3
InChIKeyBQFIYMSQJKREBQ-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol?
The IUPAC name of 3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol (CID 10043678) is 3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol.
What is the SMILES notation for 3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol?
The canonical SMILES for 3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol is CCOC(C(C)O)(C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol?
The InChIKey is BQFIYMSQJKREBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F7O2/c1-3-23-11(9(2)22,10-7-5-4-6-8-10)12(15,16)13(17,18)14(19,20)21/h9-10,22H,3-8H2,1-2H3.
What are the key properties of 3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol?
3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol has a molecular weight of 354.31 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol is sourced from PubChem (CID 10043678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).