3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol

C7H5F11O — CID 18994450

IUPAC3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol
SMILESCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F11O/c1-2(19)3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h2,19H,1H3
InChIKeyQOYNEVFKTZVANM-UHFFFAOYSA-N
MW314.09 g/mol
LogP3.47
Rot. Bonds4

About 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol

3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol (PubChem CID 18994450) has the molecular formula C7H5F11O and a molecular weight of 314.09 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol
PubChem CID18994450
Molecular FormulaC7H5F11O
Molecular Weight314.09 g/mol
Exact Mass314.02
IUPAC Name3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol
SMILESCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F11O/c1-2(19)3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h2,19H,1H3
InChIKeyQOYNEVFKTZVANM-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
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

Dodecafluoroheptanol
CID 67639
1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 74883
3,3,4,4,5,5,5-Heptafluoropentan-2-ol
CID 78992
3-(Perfluoropropyl)propanol
CID 2774911
3,3,4,4,5,5,6,6,7,7,7-Undecafluoroheptan-1-ol
CID 11723125
7:2 sFluorotelomer alcohol
CID 13081654
4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol
CID 2779091
1H,1H,2H,3H,3H-Perfluoroheptane-1,2-diol
CID 2782554
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-2-ol
CID 11035876
(S)-1,1,1-Trifluorooctan-2-ol
CID 7000124
1,1,1,2,2,3,3,4,4-Nonafluorododecan-5-ol
CID 14764840
3,3,4,5,5,6,6,7,7,7-Decafluoroheptan-2-ol
CID 132200092

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol (CID 18994450) is 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol is CC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol?
The InChIKey is QOYNEVFKTZVANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F11O/c1-2(19)3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h2,19H,1H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol?
3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol has a molecular weight of 314.09 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol is sourced from PubChem (CID 18994450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).