1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol

C8H5F11O — CID 4541334

IUPAC1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
SMILESCC(O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H5F11O/c1-2(20)3(9)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h2,20H,1H3
InChIKeySVQLLPOUSBWFHB-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.27
Rot. Bonds1

About 1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol

1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol (PubChem CID 4541334) has the molecular formula C8H5F11O and a molecular weight of 326.11 g/mol. Its IUPAC name is 1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol.

Molecular Properties

Compound Name1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
PubChem CID4541334
Molecular FormulaC8H5F11O
Molecular Weight326.11 g/mol
Exact Mass326.02
IUPAC Name1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
SMILESCC(O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H5F11O/c1-2(20)3(9)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h2,20H,1H3
InChIKeySVQLLPOUSBWFHB-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane
CID 121401406
ethane;tetrakis(propan-2-ol)
CID 174681393
1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane
CID 10892917
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane
CID 153324130
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;3-methylbutan-1-ol
CID 175255717
1-fluoroethanol;rutherfordium
CID 58987118
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane
CID 59386457
1,4,4-trifluoro-3-methylbutan-1-ol
CID 142508491
ethyl 2-methyl-3-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)propanoate
CID 155658037
2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine
CID 12597073
1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane
CID 175402801

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
The IUPAC name of 1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol (CID 4541334) is 1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol.
What is the SMILES notation for 1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
The canonical SMILES for 1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol is CC(O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
The InChIKey is SVQLLPOUSBWFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O/c1-2(20)3(9)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h2,20H,1H3.
What are the key properties of 1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol has a molecular weight of 326.11 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol is sourced from PubChem (CID 4541334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).