2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol

C5H7F7O2 — CID 160575602

IUPAC2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol
SMILESOCC(F)(F)C(F)F.OCC(F)(F)F
InChIInChI=1S/C3H4F4O.C2H3F3O/c4-2(5)3(6,7)1-8;3-2(4,5)1-6/h2,8H,1H2;6H,1H2
InChIKeyRBCLFSBZDMKOPK-UHFFFAOYSA-N
MW232.09 g/mol
LogP1.42
Rot. Bonds2

About 2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol

2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol (PubChem CID 160575602) has the molecular formula C5H7F7O2 and a molecular weight of 232.09 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol
PubChem CID160575602
Molecular FormulaC5H7F7O2
Molecular Weight232.09 g/mol
Exact Mass232.03
IUPAC Name2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol
SMILESOCC(F)(F)C(F)F.OCC(F)(F)F
InChIInChI=1S/C3H4F4O.C2H3F3O/c4-2(5)3(6,7)1-8;3-2(4,5)1-6/h2,8H,1H2;6H,1H2
InChIKeyRBCLFSBZDMKOPK-UHFFFAOYSA-N
XLogP1.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.09
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoropropan-1-ol;hydrate
CID 141297576
2,2,3,4,4,4-hexafluorobutan-1-ol
CID 533990
2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 161150206
3,3,4,4-tetrafluorobutanoic acid
CID 29005286
1,1,2,2-tetrafluoro-3-hydroperoxypropane
CID 162542165
sulfuric acid;2,2,2-trifluoroethanol
CID 172737792
2,2,3,3-tetrafluoropropane-1-thiol
CID 57236549
1-bromo-3,3,4,4-tetrafluorobutan-1-ol
CID 151013358
4,4,5,5-tetrafluoropentan-2-ol
CID 131061196
2-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]ethanol
CID 97109325
1,1,1,2,2-pentafluoroethane;1,1,2,2,3-pentafluoropropane
CID 157410254
5,5,6,6-tetrafluorohexan-3-ol
CID 131228831

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol?
The IUPAC name of 2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol (CID 160575602) is 2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol.
What is the SMILES notation for 2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol?
The canonical SMILES for 2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol is OCC(F)(F)C(F)F.OCC(F)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol?
The InChIKey is RBCLFSBZDMKOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O.C2H3F3O/c4-2(5)3(6,7)1-8;3-2(4,5)1-6/h2,8H,1H2;6H,1H2.
What are the key properties of 2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol?
2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol has a molecular weight of 232.09 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol is sourced from PubChem (CID 160575602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).