(2R)-1,1-diethoxy-3-fluoropropan-2-ol

C7H15FO3 — CID 131846513

IUPAC(2R)-1,1-diethoxy-3-fluoropropan-2-ol
SMILESCCOC(OCC)[C@@H](O)CF
InChIInChI=1S/C7H15FO3/c1-3-10-7(11-4-2)6(9)5-8/h6-7,9H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyOLPXGGJSTXGTRN-LURJTMIESA-N
MW166.19 g/mol
LogP0.72
Rot. Bonds6

About (2R)-1,1-diethoxy-3-fluoropropan-2-ol

(2R)-1,1-diethoxy-3-fluoropropan-2-ol (PubChem CID 131846513) has the molecular formula C7H15FO3 and a molecular weight of 166.19 g/mol. Its IUPAC name is (2R)-1,1-diethoxy-3-fluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-1,1-diethoxy-3-fluoropropan-2-ol
PubChem CID131846513
Molecular FormulaC7H15FO3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name(2R)-1,1-diethoxy-3-fluoropropan-2-ol
SMILESCCOC(OCC)[C@@H](O)CF
InChIInChI=1S/C7H15FO3/c1-3-10-7(11-4-2)6(9)5-8/h6-7,9H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyOLPXGGJSTXGTRN-LURJTMIESA-N
XLogP0.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 50.72
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

(2S)-3-ethoxy-3-(2-hydroxyethoxy)propane-1,2-diol
CID 89386326
(2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol
CID 95562516
1,1-diethoxypent-4-yn-2-ol
CID 79495751
1,1-diethoxy-4-methylidenehexan-2-ol
CID 79495661
1,1-diethoxyhept-5-yn-2-ol
CID 104804060
2,2-diethoxy-1-methoxyethanol
CID 123958282
1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol
CID 79495839
1,1-diethoxyhept-6-en-2-ol
CID 79496437
1,1-diethoxy-5-methylsulfonylpentan-2-ol
CID 79496142
3-(4-chlorophenyl)-1,1-diethoxypropan-2-ol
CID 79495652
3-ethoxy-1-propan-2-yloxybutan-2-ol
CID 79567454
(4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol
CID 90767951

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1-diethoxy-3-fluoropropan-2-ol?
The IUPAC name of (2R)-1,1-diethoxy-3-fluoropropan-2-ol (CID 131846513) is (2R)-1,1-diethoxy-3-fluoropropan-2-ol.
What is the SMILES notation for (2R)-1,1-diethoxy-3-fluoropropan-2-ol?
The canonical SMILES for (2R)-1,1-diethoxy-3-fluoropropan-2-ol is CCOC(OCC)[C@@H](O)CF.
What is the InChIKey of (2R)-1,1-diethoxy-3-fluoropropan-2-ol?
The InChIKey is OLPXGGJSTXGTRN-LURJTMIESA-N. The full InChI is InChI=1S/C7H15FO3/c1-3-10-7(11-4-2)6(9)5-8/h6-7,9H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2R)-1,1-diethoxy-3-fluoropropan-2-ol?
(2R)-1,1-diethoxy-3-fluoropropan-2-ol has a molecular weight of 166.19 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-diethoxy-3-fluoropropan-2-ol is sourced from PubChem (CID 131846513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).