6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol

C9H13F7O — CID 59689373

IUPAC6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol
SMILESCC(F)(CC(CCCO)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F7O/c1-7(10,9(14,15)16)5-6(3-2-4-17)8(11,12)13/h6,17H,2-5H2,1H3
InChIKeyOQDWXTZRCFCYTG-UHFFFAOYSA-N
MW270.19 g/mol
LogP3.62
Rot. Bonds5

About 6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol

6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol (PubChem CID 59689373) has the molecular formula C9H13F7O and a molecular weight of 270.19 g/mol. Its IUPAC name is 6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol.

Molecular Properties

Compound Name6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol
PubChem CID59689373
Molecular FormulaC9H13F7O
Molecular Weight270.19 g/mol
Exact Mass270.09
IUPAC Name6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol
SMILESCC(F)(CC(CCCO)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F7O/c1-7(10,9(14,15)16)5-6(3-2-4-17)8(11,12)13/h6,17H,2-5H2,1H3
InChIKeyOQDWXTZRCFCYTG-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol?
The IUPAC name of 6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol (CID 59689373) is 6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol.
What is the SMILES notation for 6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol?
The canonical SMILES for 6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol is CC(F)(CC(CCCO)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol?
The InChIKey is OQDWXTZRCFCYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F7O/c1-7(10,9(14,15)16)5-6(3-2-4-17)8(11,12)13/h6,17H,2-5H2,1H3.
What are the key properties of 6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol?
6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol has a molecular weight of 270.19 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol is sourced from PubChem (CID 59689373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).