1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one

C6H2F12O2 — CID 159576724

IUPAC1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one
SMILESO=C(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O.C3F6O/c2*4-2(5,6)1(10)3(7,8)9/h1,10H;
InChIKeyMIMPCUIHEKKOGN-UHFFFAOYSA-N
MW334.06 g/mol
LogP3.15
Rot. Bonds

About 1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one

1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one (PubChem CID 159576724) has the molecular formula C6H2F12O2 and a molecular weight of 334.06 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one
PubChem CID159576724
Molecular FormulaC6H2F12O2
Molecular Weight334.06 g/mol
Exact Mass333.99
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one
SMILESO=C(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O.C3F6O/c2*4-2(5,6)1(10)3(7,8)9/h1,10H;
InChIKeyMIMPCUIHEKKOGN-UHFFFAOYSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.06
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one with MolForge

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Related Compounds

tris(1,1,1,3,3,3-hexafluoropropan-2-one);iron
CID 159237842
cerium;1,1,1,3,3,3-hexafluoropropan-2-one
CID 90019366
1,1,1,3,3,3-hexafluoropropan-2-ol;sulfuric acid
CID 146471813
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);sulfurous acid
CID 71441894
1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide
CID 174432206
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid
CID 159325388
tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol
CID 157252983
1,1,1,3,3-pentafluorobutan-2-one
CID 21483509
3,3,4,4-tetrabromo-1,1,1,6,6,6-hexafluorohexane-2,5-dione
CID 170155777
(2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol
CID 98055023
tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol)
CID 162498087
methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one
CID 157447507

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one (CID 159576724) is 1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one is O=C(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one?
The InChIKey is MIMPCUIHEKKOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O.C3F6O/c2*4-2(5,6)1(10)3(7,8)9/h1,10H;.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one?
1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one has a molecular weight of 334.06 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one is sourced from PubChem (CID 159576724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).