7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol

C9H13F7O — CID 2776192

IUPAC7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol
SMILESOCCCCCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F7O/c10-7(8(11,12)13,9(14,15)16)5-3-1-2-4-6-17/h17H,1-6H2
InChIKeyGQUBVUFBTNFEHA-UHFFFAOYSA-N
MW270.19 g/mol
LogP3.76
Rot. Bonds6

About 7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol

7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol (PubChem CID 2776192) has the molecular formula C9H13F7O and a molecular weight of 270.19 g/mol. Its IUPAC name is 7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol.

Molecular Properties

Compound Name7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol
PubChem CID2776192
Molecular FormulaC9H13F7O
Molecular Weight270.19 g/mol
Exact Mass270.09
IUPAC Name7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol
SMILESOCCCCCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F7O/c10-7(8(11,12)13,9(14,15)16)5-3-1-2-4-6-17/h17H,1-6H2
InChIKeyGQUBVUFBTNFEHA-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8,8,8-trifluoro-7-(trifluoromethyl)octane-1,7-diol
CID 53430948
2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol
CID 58901210
20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine
CID 155015019
1,1,1,2-tetrafluoro-2-(trifluoromethyl)nonane;uranium
CID 147368980
7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol
CID 54057329
tricosane-1,23-diol
CID 25144332
pentadecane-1,15-diol
CID 518994
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
hexane-1,6-diol;octane-1,8-diol
CID 21202869
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508

Frequently Asked Questions

What is the IUPAC name of 7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol?
The IUPAC name of 7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol (CID 2776192) is 7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol.
What is the SMILES notation for 7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol?
The canonical SMILES for 7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol is OCCCCCCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol?
The InChIKey is GQUBVUFBTNFEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F7O/c10-7(8(11,12)13,9(14,15)16)5-3-1-2-4-6-17/h17H,1-6H2.
What are the key properties of 7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol?
7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol has a molecular weight of 270.19 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol is sourced from PubChem (CID 2776192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).