1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol

C10H2F20O — CID 87915651

IUPAC1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol
SMILESOC(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H2F20O/c11-1(31)2(12,13)3(14,8(22,23)24)5(16,17)7(20,21)6(18,19)4(15,9(25,26)27)10(28,29)30/h1,31H
InChIKeyGNAQRYHLIUDGSG-UHFFFAOYSA-N
MW518.09 g/mol
LogP5.92
Rot. Bonds6

About 1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol

1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol (PubChem CID 87915651) has the molecular formula C10H2F20O and a molecular weight of 518.09 g/mol. Its IUPAC name is 1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol.

Molecular Properties

Compound Name1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol
PubChem CID87915651
Molecular FormulaC10H2F20O
Molecular Weight518.09 g/mol
Exact Mass517.98
IUPAC Name1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol
SMILESOC(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H2F20O/c11-1(31)2(12,13)3(14,8(22,23)24)5(16,17)7(20,21)6(18,19)4(15,9(25,26)27)10(28,29)30/h1,31H
InChIKeyGNAQRYHLIUDGSG-UHFFFAOYSA-N
XLogP5.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.09
LogP ≤ 55.92
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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4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,13,13,13-icosafluoro-11-(trifluoromethyl)tridecan-2-ol
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[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-1-hydroxy-12-(trifluoromethyl)tridecyl] prop-2-enoate
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1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-(trifluoromethyl)nonoxy]-2-(trifluoromethyl)nonane
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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol?
The IUPAC name of 1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol (CID 87915651) is 1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol.
What is the SMILES notation for 1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol?
The canonical SMILES for 1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol is OC(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol?
The InChIKey is GNAQRYHLIUDGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F20O/c11-1(31)2(12,13)3(14,8(22,23)24)5(16,17)7(20,21)6(18,19)4(15,9(25,26)27)10(28,29)30/h1,31H.
What are the key properties of 1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol?
1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol has a molecular weight of 518.09 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol is sourced from PubChem (CID 87915651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).