methanol;1,1,1-trifluoropropan-2-one

C4H7F3O2 — CID 143449036

IUPACmethanol;1,1,1-trifluoropropan-2-one
SMILESCC(=O)C(F)(F)F.CO
InChIInChI=1S/C3H3F3O.CH4O/c1-2(7)3(4,5)6;1-2/h1H3;2H,1H3
InChIKeyKANODUCNAXJLGC-UHFFFAOYSA-N
MW144.09 g/mol
LogP0.75
Rot. Bonds

About methanol;1,1,1-trifluoropropan-2-one

methanol;1,1,1-trifluoropropan-2-one (PubChem CID 143449036) has the molecular formula C4H7F3O2 and a molecular weight of 144.09 g/mol. Its IUPAC name is methanol;1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Namemethanol;1,1,1-trifluoropropan-2-one
PubChem CID143449036
Molecular FormulaC4H7F3O2
Molecular Weight144.09 g/mol
Exact Mass144.04
IUPAC Namemethanol;1,1,1-trifluoropropan-2-one
SMILESCC(=O)C(F)(F)F.CO
InChIInChI=1S/C3H3F3O.CH4O/c1-2(7)3(4,5)6;1-2/h1H3;2H,1H3
InChIKeyKANODUCNAXJLGC-UHFFFAOYSA-N
XLogP0.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.09
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

guanidine;1,1,1-trifluoropropan-2-one
CID 161240070
methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one
CID 157447507
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855
acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665
2,2,2-trifluoroacetate acetate
CID 19379527
acetic acid;2,2,2-trifluoroacetamide
CID 172805732
bromo(trifluoro)methane;propan-2-one
CID 174337129
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
2-bromo-4,4,4-trifluoro-3-methylbut-2-enoic acid
CID 53395634
lithium;hydride;1,1,1-trifluoropentane-2,4-dione
CID 173192040

Frequently Asked Questions

What is the IUPAC name of methanol;1,1,1-trifluoropropan-2-one?
The IUPAC name of methanol;1,1,1-trifluoropropan-2-one (CID 143449036) is methanol;1,1,1-trifluoropropan-2-one.
What is the SMILES notation for methanol;1,1,1-trifluoropropan-2-one?
The canonical SMILES for methanol;1,1,1-trifluoropropan-2-one is CC(=O)C(F)(F)F.CO.
What is the InChIKey of methanol;1,1,1-trifluoropropan-2-one?
The InChIKey is KANODUCNAXJLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O.CH4O/c1-2(7)3(4,5)6;1-2/h1H3;2H,1H3.
What are the key properties of methanol;1,1,1-trifluoropropan-2-one?
methanol;1,1,1-trifluoropropan-2-one has a molecular weight of 144.09 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 143449036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).