8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol

C12H23F3O2 — CID 18955759

IUPAC8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol
SMILESCCOCCCCCC(O)C(CF)(CF)CF
InChIInChI=1S/C12H23F3O2/c1-2-17-7-5-3-4-6-11(16)12(8-13,9-14)10-15/h11,16H,2-10H2,1H3
InChIKeyOPTBUQCVEQNLBL-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.84
Rot. Bonds11

About 8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol

8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol (PubChem CID 18955759) has the molecular formula C12H23F3O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol.

Molecular Properties

Compound Name8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol
PubChem CID18955759
Molecular FormulaC12H23F3O2
Molecular Weight256.31 g/mol
Exact Mass256.17
IUPAC Name8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol
SMILESCCOCCCCCC(O)C(CF)(CF)CF
InChIInChI=1S/C12H23F3O2/c1-2-17-7-5-3-4-6-11(16)12(8-13,9-14)10-15/h11,16H,2-10H2,1H3
InChIKeyOPTBUQCVEQNLBL-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11401401
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CID 93692
10-Ethoxy-1-fluoro-2,2-bis(fluoromethyl)decan-3-ol
CID 18955741
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-(3-methyloxetan-3-yl)nonan-1-ol
CID 57017122
2,2-Difluoro-8,8-dimethyl-1-propan-2-yloxynonane
CID 58275565
6,6-Difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane
CID 58275619
(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol
CID 59065117
(2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol
CID 59065131
(2S,3R,4R,5R,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol
CID 59065157
2,2,2-Trifluoro-1-(1-methylcyclotetradecyl)ethanol
CID 70827511
6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoro-2,2-dimethylundecane-1,3-diol
CID 88120722

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol?
The IUPAC name of 8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol (CID 18955759) is 8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol.
What is the SMILES notation for 8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol?
The canonical SMILES for 8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol is CCOCCCCCC(O)C(CF)(CF)CF.
What is the InChIKey of 8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol?
The InChIKey is OPTBUQCVEQNLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O2/c1-2-17-7-5-3-4-6-11(16)12(8-13,9-14)10-15/h11,16H,2-10H2,1H3.
What are the key properties of 8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol?
8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol has a molecular weight of 256.31 g/mol, XLogP of 2.84, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol is sourced from PubChem (CID 18955759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).