2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol

C8H17F5O3 — CID 161162971

IUPAC2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol
SMILESCC(F)(F)CO.CC(O)C(F)(F)F.CCO
InChIInChI=1S/C3H5F3O.C3H6F2O.C2H6O/c1-2(7)3(4,5)6;1-3(4,5)2-6;1-2-3/h2,7H,1H3;6H,2H2,1H3;3H,2H2,1H3
InChIKeyUQDXBXMTPJNXRM-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.56
Rot. Bonds1

About 2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol

2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol (PubChem CID 161162971) has the molecular formula C8H17F5O3 and a molecular weight of 256.21 g/mol. Its IUPAC name is 2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol
PubChem CID161162971
Molecular FormulaC8H17F5O3
Molecular Weight256.21 g/mol
Exact Mass256.11
IUPAC Name2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol
SMILESCC(F)(F)CO.CC(O)C(F)(F)F.CCO
InChIInChI=1S/C3H5F3O.C3H6F2O.C2H6O/c1-2(7)3(4,5)6;1-3(4,5)2-6;1-2-3/h2,7H,1H3;6H,2H2,1H3;3H,2H2,1H3
InChIKeyUQDXBXMTPJNXRM-UHFFFAOYSA-N
XLogP1.56
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

azane;1,1,1-trifluoropropan-2-ol
CID 172812336
3,3,4,4-tetrafluoropentan-2-ol
CID 162564921
ethanol;methanol;2-methylpropan-2-ol;propan-2-ol
CID 157184290
2,2-dimethylbutane-1,3-diol;methane
CID 158054850
2,2-dimethylpropane-1,3-diol;propan-2-ol
CID 174928286
2-methyl-2-propan-2-ylbutane-1,3-diol
CID 12660971
hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol
CID 173465008
butan-2-ol;ethanol
CID 87396559
ethane-1,2-diol;ethanol;propan-2-ol
CID 172702663
ethane-1,1-diol;ethanol;methane;propane
CID 161040342
butan-2-ol;ethanol
CID 174347632
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol (CID 161162971) is 2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol is CC(F)(F)CO.CC(O)C(F)(F)F.CCO.
What is the InChIKey of 2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol?
The InChIKey is UQDXBXMTPJNXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O.C3H6F2O.C2H6O/c1-2(7)3(4,5)6;1-3(4,5)2-6;1-2-3/h2,7H,1H3;6H,2H2,1H3;3H,2H2,1H3.
What are the key properties of 2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol?
2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol has a molecular weight of 256.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 161162971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).