1,1,2,2-Tetrafluoroethan-1-ol

C2H2F4O — CID 14529362

IUPAC1,1,2,2-tetrafluoroethanol
SMILESC(C(O)(F)F)(F)F
InChIInChI=1S/C2H2F4O/c3-1(4)2(5,6)7/h1,7H
InChIKeyKGUDSELBPWEAKU-UHFFFAOYSA-N
MW118.03 g/mol
LogP1.20
Rot. Bonds1

About 1,1,2,2-Tetrafluoroethan-1-ol

1,1,2,2-Tetrafluoroethan-1-ol (PubChem CID 14529362) has the molecular formula C2H2F4O and a molecular weight of 118.03 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoroethanol.

Molecular Properties

Compound Name1,1,2,2-Tetrafluoroethan-1-ol
PubChem CID14529362
Molecular FormulaC2H2F4O
Molecular Weight118.03 g/mol
Exact Mass118.00
IUPAC Name1,1,2,2-tetrafluoroethanol
SMILESC(C(O)(F)F)(F)F
InChIInChI=1S/C2H2F4O/c3-1(4)2(5,6)7/h1,7H
InChIKeyKGUDSELBPWEAKU-UHFFFAOYSA-N
XLogP1.20
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms7
Complexity60

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.03
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,2-Pentafluoroethanol
CID 2759276
1,1,2,3,3,3-Hexafluoropropan-1-ol
CID 11665471
Ethanol, trifluoro-
CID 185647
1-Propanol, hexafluoro-
CID 148644
Pentafluoropropanol
CID 168785
1,1,1,2,3,3-Hexafluoro-2-propanol
CID 13350568
3-Pentafluoropropanol
CID 19006646
Pentafluoro isopropanol
CID 21645339
Water-tetra-fluoroethanol
CID 87686944
2,2-Dideuterio-1,1,2-trifluoroethanol
CID 54375651
1,1,2,3,3-Pentafluoropropan-1-ol
CID 21263643
1,1,2-Trifluoroethyl hypofluorite
CID 22084402

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-Tetrafluoroethan-1-ol?
The IUPAC name of 1,1,2,2-Tetrafluoroethan-1-ol (CID 14529362) is 1,1,2,2-tetrafluoroethanol.
What is the SMILES notation for 1,1,2,2-Tetrafluoroethan-1-ol?
The canonical SMILES for 1,1,2,2-Tetrafluoroethan-1-ol is C(C(O)(F)F)(F)F.
What is the InChIKey of 1,1,2,2-Tetrafluoroethan-1-ol?
The InChIKey is KGUDSELBPWEAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4O/c3-1(4)2(5,6)7/h1,7H.
What are the key properties of 1,1,2,2-Tetrafluoroethan-1-ol?
1,1,2,2-Tetrafluoroethan-1-ol has a molecular weight of 118.03 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-Tetrafluoroethan-1-ol is sourced from PubChem (CID 14529362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).