1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol

C3H3F5O3 — CID 166940624

IUPAC1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol
SMILESOC(OC(O)(F)F)C(F)(F)F
InChIInChI=1S/C3H3F5O3/c4-2(5,6)1(9)11-3(7,8)10/h1,9-10H
InChIKeyCVRXUJXLENOXOQ-UHFFFAOYSA-N
MW182.04 g/mol
LogP0.43
Rot. Bonds2

About 1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol

1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol (PubChem CID 166940624) has the molecular formula C3H3F5O3 and a molecular weight of 182.04 g/mol. Its IUPAC name is 1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol
PubChem CID166940624
Molecular FormulaC3H3F5O3
Molecular Weight182.04 g/mol
Exact Mass182.00
IUPAC Name1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol
SMILESOC(OC(O)(F)F)C(F)(F)F
InChIInChI=1S/C3H3F5O3/c4-2(5,6)1(9)11-3(7,8)10/h1,9-10H
InChIKeyCVRXUJXLENOXOQ-UHFFFAOYSA-N
XLogP0.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.04
LogP ≤ 50.43
H-Bond Donors ≤ 52
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

2,2,2-Trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol
CID 9856087
1-(2,2,2-Trifluoroethoxy)-2,2,2-trifluoroethanol
CID 11435552
2,2,3,3-Tetrafluoropropoxymethanol
CID 14595651
2,2-Difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol
CID 22922914
CF3CH(OH)Och2C2F5
CID 23200488
Difluoro(2,2,2-trifluoroethoxy)methanol
CID 54080608
2,2,2-Trifluoroethoxymethanol
CID 54216280
2,2,2-Trifluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol
CID 56981698
CF3CH(OH)Ocf3
CID 57091037
1-(2,2-Difluoroethoxy)-2,2,2-trifluoroethanol
CID 57236959
2,2-Difluoroethoxymethanol
CID 57968354
1,1'-Oxybis(2,2,2-trifluoroethan-1-ol)
CID 71368176

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol (CID 166940624) is 1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol is OC(OC(O)(F)F)C(F)(F)F.
What is the InChIKey of 1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol?
The InChIKey is CVRXUJXLENOXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O3/c4-2(5,6)1(9)11-3(7,8)10/h1,9-10H.
What are the key properties of 1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol?
1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol has a molecular weight of 182.04 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol is sourced from PubChem (CID 166940624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).