1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol

C8H2F16O — CID 174363014

IUPAC1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F16O/c9-1(3(12,13)8(23,24)25)2(10,11)4(14,15)5(16,17)6(18,19)7(20,21)22/h1,25H
InChIKeyFVDPNEJESKXMTL-UHFFFAOYSA-N
MW418.07 g/mol
LogP4.65
Rot. Bonds6

About 1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol

1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol (PubChem CID 174363014) has the molecular formula C8H2F16O and a molecular weight of 418.07 g/mol. Its IUPAC name is 1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol.

Molecular Properties

Compound Name1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol
PubChem CID174363014
Molecular FormulaC8H2F16O
Molecular Weight418.07 g/mol
Exact Mass417.99
IUPAC Name1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F16O/c9-1(3(12,13)8(23,24)25)2(10,11)4(14,15)5(16,17)6(18,19)7(20,21)22/h1,25H
InChIKeyFVDPNEJESKXMTL-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.07
LogP ≤ 54.65
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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CID 91384893
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1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl carbonochloridate
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1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane
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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol?
The IUPAC name of 1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol (CID 174363014) is 1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol.
What is the SMILES notation for 1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol?
The canonical SMILES for 1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol is OC(F)(F)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol?
The InChIKey is FVDPNEJESKXMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F16O/c9-1(3(12,13)8(23,24)25)2(10,11)4(14,15)5(16,17)6(18,19)7(20,21)22/h1,25H.
What are the key properties of 1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol?
1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol has a molecular weight of 418.07 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol is sourced from PubChem (CID 174363014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).