(1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol

C8H6F10O2 — CID 88561034

IUPAC(1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol
SMILESCOC1(F)C(F)(F)C(F)(F)C(F)(CO)C(F)(F)C1(F)F
InChIInChI=1S/C8H6F10O2/c1-20-8(18)6(14,15)4(10,11)3(9,2-19)5(12,13)7(8,16)17/h19H,2H2,1H3
InChIKeyRFJCGMDGASDIOY-UHFFFAOYSA-N
MW324.11 g/mol
LogP2.55
Rot. Bonds2

About (1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol

(1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol (PubChem CID 88561034) has the molecular formula C8H6F10O2 and a molecular weight of 324.11 g/mol. Its IUPAC name is (1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol.

Molecular Properties

Compound Name(1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol
PubChem CID88561034
Molecular FormulaC8H6F10O2
Molecular Weight324.11 g/mol
Exact Mass324.02
IUPAC Name(1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol
SMILESCOC1(F)C(F)(F)C(F)(F)C(F)(CO)C(F)(F)C1(F)F
InChIInChI=1S/C8H6F10O2/c1-20-8(18)6(14,15)4(10,11)3(9,2-19)5(12,13)7(8,16)17/h19H,2H2,1H3
InChIKeyRFJCGMDGASDIOY-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.11
LogP ≤ 52.55
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 (1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol?
The IUPAC name of (1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol (CID 88561034) is (1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol.
What is the SMILES notation for (1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol?
The canonical SMILES for (1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol is COC1(F)C(F)(F)C(F)(F)C(F)(CO)C(F)(F)C1(F)F.
What is the InChIKey of (1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol?
The InChIKey is RFJCGMDGASDIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F10O2/c1-20-8(18)6(14,15)4(10,11)3(9,2-19)5(12,13)7(8,16)17/h19H,2H2,1H3.
What are the key properties of (1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol?
(1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol has a molecular weight of 324.11 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,3,3,4,5,5,6,6-decafluoro-4-methoxycyclohexyl)methanol is sourced from PubChem (CID 88561034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).