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

C8H3F13O — CID 23456994

IUPAC2,2-difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
SMILESOCC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H3F13O/c9-2(10,1-22)3(11)4(12,13)6(16,17)8(20,21)7(18,19)5(3,14)15/h22H,1H2
InChIKeyRICPBVHXYRSWED-UHFFFAOYSA-N
MW362.09 g/mol
LogP3.51
Rot. Bonds2

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

2,2-difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol (PubChem CID 23456994) has the molecular formula C8H3F13O and a molecular weight of 362.09 g/mol. Its IUPAC name is 2,2-difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
PubChem CID23456994
Molecular FormulaC8H3F13O
Molecular Weight362.09 g/mol
Exact Mass362.00
IUPAC Name2,2-difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
SMILESOCC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H3F13O/c9-2(10,1-22)3(11)4(12,13)6(16,17)8(20,21)7(18,19)5(3,14)15/h22H,1H2
InChIKeyRICPBVHXYRSWED-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.09
LogP ≤ 53.51
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-Octanol, 2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)-
CID 2776097
3,3,4,4,5,5,6,6,7,8,8,8-Dodecafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776232
Perfluorocyclohexylmethanol
CID 2782563
1-Cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 10943092
2-(Perfluoro-7-methyloctyl)ethanol
CID 2776203
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Icosafluoro-11-(trifluoromethyl)dodecan-1-ol
CID 2776212
3-(Perfluoro-7-methyloctyl)propanol
CID 86017153
2-(4,4-Difluorocyclohexyl)ethan-1-ol
CID 66583726
3-(4,4-Difluorocyclohexyl)propan-1-ol
CID 122552790
(1s)-1-Cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 11008557
(1R)-1-cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 12636128
3-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 11389967

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
The IUPAC name of 2,2-difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol (CID 23456994) is 2,2-difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol is OCC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2-difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
The InChIKey is RICPBVHXYRSWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13O/c9-2(10,1-22)3(11)4(12,13)6(16,17)8(20,21)7(18,19)5(3,14)15/h22H,1H2.
What are the key properties of 2,2-difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
2,2-difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol has a molecular weight of 362.09 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol is sourced from PubChem (CID 23456994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).