1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol

C10H13F7O — CID 12010758

IUPAC1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol
SMILESOC(F)(F)C(F)(F)C1CCC(CC(F)(F)F)CC1
InChIInChI=1S/C10H13F7O/c11-8(12,13)5-6-1-3-7(4-2-6)9(14,15)10(16,17)18/h6-7,18H,1-5H2
InChIKeyIDARUWARISVRMU-UHFFFAOYSA-N
MW282.20 g/mol
LogP3.97
Rot. Bonds3

About 1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol

1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol (PubChem CID 12010758) has the molecular formula C10H13F7O and a molecular weight of 282.20 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol
PubChem CID12010758
Molecular FormulaC10H13F7O
Molecular Weight282.20 g/mol
Exact Mass282.09
IUPAC Name1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol
SMILESOC(F)(F)C(F)(F)C1CCC(CC(F)(F)F)CC1
InChIInChI=1S/C10H13F7O/c11-8(12,13)5-6-1-3-7(4-2-6)9(14,15)10(16,17)18/h6-7,18H,1-5H2
InChIKeyIDARUWARISVRMU-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 53.97
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

2-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 61644687
2-(4,4-Difluorocyclohexyl)ethan-1-ol
CID 66583726
(2S)-2-cyclohexyl-3,3,3-trifluoropropan-1-ol
CID 131041887
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)cyclohexan-1-ol
CID 101874589
1,1,1,3,3,3-Hexafluoro-2-cyclohexyl-2-propanol
CID 11149363
2,2'-(1,4-Cyclohexanediyl)bis(1,1,1,3,3,3-hexafluoro-2-propanol)
CID 13876330
11-[1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]undecan-1-ol
CID 20434364
2-(2,2-Difluorocyclohexyl)-3,3,3-trifluoropropan-1-ol
CID 20455557
2-(Cyclohexylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20826489
2-(4-Butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21020793
Cyclohexyl(difluoro)methanol
CID 22660479
1,1,1,3,3,3-Hexafluoro-2-(4-methylcyclohexyl)propan-2-ol
CID 23528231

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol?
The IUPAC name of 1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol (CID 12010758) is 1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol is OC(F)(F)C(F)(F)C1CCC(CC(F)(F)F)CC1.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol?
The InChIKey is IDARUWARISVRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F7O/c11-8(12,13)5-6-1-3-7(4-2-6)9(14,15)10(16,17)18/h6-7,18H,1-5H2.
What are the key properties of 1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol?
1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol has a molecular weight of 282.20 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-[4-(2,2,2-trifluoroethyl)cyclohexyl]ethanol is sourced from PubChem (CID 12010758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).