1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol

C7H13F3O3 — CID 154623550

IUPAC1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol
SMILESOC(COCCF)COCC(F)F
InChIInChI=1S/C7H13F3O3/c8-1-2-12-3-6(11)4-13-5-7(9)10/h6-7,11H,1-5H2
InChIKeyZAUOVJYPHIOYBO-UHFFFAOYSA-N
MW202.17 g/mol
LogP0.62
Rot. Bonds8

About 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol

1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol (PubChem CID 154623550) has the molecular formula C7H13F3O3 and a molecular weight of 202.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol
PubChem CID154623550
Molecular FormulaC7H13F3O3
Molecular Weight202.17 g/mol
Exact Mass202.08
IUPAC Name1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol
SMILESOC(COCCF)COCC(F)F
InChIInChI=1S/C7H13F3O3/c8-1-2-12-3-6(11)4-13-5-7(9)10/h6-7,11H,1-5H2
InChIKeyZAUOVJYPHIOYBO-UHFFFAOYSA-N
XLogP0.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoroethoxy)butan-2-ol
CID 58952834
1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol
CID 154623548
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
1-(2,2-difluoroethoxy)pentan-3-ol
CID 103147788
2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene)
CID 161291709
1-(2,2-difluoroethoxy)propan-2-ol
CID 82006687
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335
tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274089
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride
CID 71756154
1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol
CID 15323033
2,2-difluoroethoxymethanamine
CID 162615781

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol?
The IUPAC name of 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol (CID 154623550) is 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol?
The canonical SMILES for 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol is OC(COCCF)COCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol?
The InChIKey is ZAUOVJYPHIOYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O3/c8-1-2-12-3-6(11)4-13-5-7(9)10/h6-7,11H,1-5H2.
What are the key properties of 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol?
1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol has a molecular weight of 202.17 g/mol, XLogP of 0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol is sourced from PubChem (CID 154623550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).