2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane

C9H21F3O — CID 159215463

IUPAC2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane
SMILESCC.CC(C)(C)CO.CC(F)(F)F
InChIInChI=1S/C5H12O.C2H3F3.C2H6/c1-5(2,3)4-6;1-2(3,4)5;1-2/h6H,4H2,1-3H3;1H3;1-2H3
InChIKeyKQZWEMYQZHRUEH-UHFFFAOYSA-N
MW202.26 g/mol
LogP3.62
Rot. Bonds

About 2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane

2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane (PubChem CID 159215463) has the molecular formula C9H21F3O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane.

Molecular Properties

Compound Name2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane
PubChem CID159215463
Molecular FormulaC9H21F3O
Molecular Weight202.26 g/mol
Exact Mass202.15
IUPAC Name2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane
SMILESCC.CC(C)(C)CO.CC(F)(F)F
InChIInChI=1S/C5H12O.C2H3F3.C2H6/c1-5(2,3)4-6;1-2(3,4)5;1-2/h6H,4H2,1-3H3;1H3;1-2H3
InChIKeyKQZWEMYQZHRUEH-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

alumane;2,2-dimethylpropan-1-ol
CID 174479314
sodium;2,2-dimethylpropan-1-ol;hydride
CID 174669308
CID 6394316
CID 6394316
1,1,1-trifluoroethane
CID 91327996
1,1,1-trifluoroethane
CID 9868
3,3,3-trifluoro-2,2-dimethylpropan-1-ol
CID 59951355
dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol
CID 21481404
3,3-difluoro-2,2-dimethylbutan-1-ol
CID 118052047
2-methyl-2-(trifluoromethyl)propane-1,3-diol
CID 118400148
1,1,1-trifluoroethane trichloride
CID 159910186
2,2-difluoropropane;ethane
CID 144524394
2-methoxy-2-methylpropane;2,2,2-trifluoroethanol
CID 156562872

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane?
The IUPAC name of 2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane (CID 159215463) is 2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane.
What is the SMILES notation for 2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane?
The canonical SMILES for 2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane is CC.CC(C)(C)CO.CC(F)(F)F.
What is the InChIKey of 2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane?
The InChIKey is KQZWEMYQZHRUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C2H3F3.C2H6/c1-5(2,3)4-6;1-2(3,4)5;1-2/h6H,4H2,1-3H3;1H3;1-2H3.
What are the key properties of 2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane?
2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane has a molecular weight of 202.26 g/mol, XLogP of 3.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane is sourced from PubChem (CID 159215463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).