2,2-diethoxy-2-fluoroethanol

C6H13FO3 — CID 174439051

IUPAC2,2-diethoxy-2-fluoroethanol
SMILESCCOC(F)(CO)OCC
InChIInChI=1S/C6H13FO3/c1-3-9-6(7,5-8)10-4-2/h8H,3-5H2,1-2H3
InChIKeyHWQZCOQNOWFHNF-UHFFFAOYSA-N
MW152.16 g/mol
LogP0.68
Rot. Bonds5

About 2,2-diethoxy-2-fluoroethanol

2,2-diethoxy-2-fluoroethanol (PubChem CID 174439051) has the molecular formula C6H13FO3 and a molecular weight of 152.16 g/mol. Its IUPAC name is 2,2-diethoxy-2-fluoroethanol.

Molecular Properties

Compound Name2,2-diethoxy-2-fluoroethanol
PubChem CID174439051
Molecular FormulaC6H13FO3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name2,2-diethoxy-2-fluoroethanol
SMILESCCOC(F)(CO)OCC
InChIInChI=1S/C6H13FO3/c1-3-9-6(7,5-8)10-4-2/h8H,3-5H2,1-2H3
InChIKeyHWQZCOQNOWFHNF-UHFFFAOYSA-N
XLogP0.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-2-fluorobutane
CID 89114459
2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 87439986
1-ethoxy-1,1-difluoro-2-iodoethane
CID 119095748
1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane
CID 23235124
2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine
CID 165349343
2-ethoxy-2-(hydroxymethyl)-3-methylbutane-1,4-diol
CID 87478259
1-ethoxy-1,1-difluorobutane;fluoromethane
CID 91368772
3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
CID 19761961
1-ethoxy-1,1,2,2,3,3-hexafluorobutane
CID 152519204
3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 122391796
2-ethoxy-2,3,3,3-tetrafluoropropanamide
CID 2802176
2-ethoxy-N-(2-ethoxypropan-2-yl)propan-2-amine
CID 22450253

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-2-fluoroethanol?
The IUPAC name of 2,2-diethoxy-2-fluoroethanol (CID 174439051) is 2,2-diethoxy-2-fluoroethanol.
What is the SMILES notation for 2,2-diethoxy-2-fluoroethanol?
The canonical SMILES for 2,2-diethoxy-2-fluoroethanol is CCOC(F)(CO)OCC.
What is the InChIKey of 2,2-diethoxy-2-fluoroethanol?
The InChIKey is HWQZCOQNOWFHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3/c1-3-9-6(7,5-8)10-4-2/h8H,3-5H2,1-2H3.
What are the key properties of 2,2-diethoxy-2-fluoroethanol?
2,2-diethoxy-2-fluoroethanol has a molecular weight of 152.16 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-2-fluoroethanol is sourced from PubChem (CID 174439051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).