1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol

C5H5F9O — CID 175325249

IUPAC1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol
SMILESCO.FC(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF9.CH4O/c5-2(6,7)1(3(8,9)10)4(11,12)13;1-2/h1H;2H,1H3
InChIKeySOEZHOJWGBOTAX-UHFFFAOYSA-N
MW252.08 g/mol
LogP2.90
Rot. Bonds

About 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol (PubChem CID 175325249) has the molecular formula C5H5F9O and a molecular weight of 252.08 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol
PubChem CID175325249
Molecular FormulaC5H5F9O
Molecular Weight252.08 g/mol
Exact Mass252.02
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol
SMILESCO.FC(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF9.CH4O/c5-2(6,7)1(3(8,9)10)4(11,12)13;1-2/h1H;2H,1H3
InChIKeySOEZHOJWGBOTAX-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.08
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

magnesium;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;hydride
CID 175390788
azane;1,1,1-trifluoropropan-2-ol
CID 172812336
(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
CID 24797122
1,2,3,3,3-pentafluoropropan-1-ol
CID 23510551
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707
fluoroform;methanol
CID 161033158
1,1,1-trifluorobutane-2,3-diamine
CID 130988807
1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane
CID 146336629
1,1,1-trifluoropropan-2-ylphosphane
CID 174317925
3,3,3-trifluoro-2-methylpropan-1-ol
CID 10148993
2,2,2-trifluoro-1-methoxyethanol
CID 9892

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol (CID 175325249) is 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol is CO.FC(F)(F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol?
The InChIKey is SOEZHOJWGBOTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9.CH4O/c5-2(6,7)1(3(8,9)10)4(11,12)13;1-2/h1H;2H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol?
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol has a molecular weight of 252.08 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol is sourced from PubChem (CID 175325249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).