2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol

C7HF13O — CID 139188899

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7HF13O/c8-2(9)1(21,7(18,19)20)3(10,11)5(14,15)6(16,17)4(2,12)13/h21H
InChIKeyHVMHNJKTVPIBCX-UHFFFAOYSA-N
MW348.06 g/mol
LogP3.47
Rot. Bonds

About 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol

2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 139188899) has the molecular formula C7HF13O and a molecular weight of 348.06 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID139188899
Molecular FormulaC7HF13O
Molecular Weight348.06 g/mol
Exact Mass347.98
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7HF13O/c8-2(9)1(21,7(18,19)20)3(10,11)5(14,15)6(16,17)4(2,12)13/h21H
InChIKeyHVMHNJKTVPIBCX-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 53.47
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

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cyclohexane-1,1,2,2,3,4,4,5,5,6-decol
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CID 76965921
(4aR,7R,8aS)-1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8,8a-heptadecafluoro-7-(trifluoromethyl)naphthalene
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1,1,2,2,3,3,4,4,5,5-decafluoro-6-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)cyclohexane
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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol (CID 139188899) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol is OC1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is HVMHNJKTVPIBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF13O/c8-2(9)1(21,7(18,19)20)3(10,11)5(14,15)6(16,17)4(2,12)13/h21H.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 348.06 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 139188899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).