methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one

C8H16F6O2 — CID 157447507

IUPACmethane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one
SMILESC.C.CC(=O)C(F)(F)F.C[C@H](O)C(F)(F)F
InChIInChI=1S/C3H5F3O.C3H3F3O.2CH4/c2*1-2(7)3(4,5)6;;/h2,7H,1H3;1H3;2*1H4/t2-;;;/m0.../s1
InChIKeyBSKCMYHBWIYHOB-SQGDDOFFSA-N
MW258.20 g/mol
LogP3.34
Rot. Bonds

About methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one

methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one (PubChem CID 157447507) has the molecular formula C8H16F6O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Namemethane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one
PubChem CID157447507
Molecular FormulaC8H16F6O2
Molecular Weight258.20 g/mol
Exact Mass258.11
IUPAC Namemethane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one
SMILESC.C.CC(=O)C(F)(F)F.C[C@H](O)C(F)(F)F
InChIInChI=1S/C3H5F3O.C3H3F3O.2CH4/c2*1-2(7)3(4,5)6;;/h2,7H,1H3;1H3;2*1H4/t2-;;;/m0.../s1
InChIKeyBSKCMYHBWIYHOB-SQGDDOFFSA-N
XLogP3.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;1,1,1-trifluoropropan-2-ol
CID 172812336
methanol;1,1,1-trifluoropropan-2-one
CID 143449036
guanidine;1,1,1-trifluoropropan-2-one
CID 161240070
hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol
CID 173465008
3,3,4-trifluoropentan-2-one
CID 87161154
2,2-difluoro-3-hydroxybutanoate
CID 140854807
acetyl-tris(1-hydroxyethyl)azanium
CID 87848379
2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol
CID 161162971
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
acetic acid;3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecan-2-ol
CID 175586310
1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one
CID 159576724
acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665

Frequently Asked Questions

What is the IUPAC name of methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one?
The IUPAC name of methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one (CID 157447507) is methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one.
What is the SMILES notation for methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one?
The canonical SMILES for methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one is C.C.CC(=O)C(F)(F)F.C[C@H](O)C(F)(F)F.
What is the InChIKey of methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one?
The InChIKey is BSKCMYHBWIYHOB-SQGDDOFFSA-N. The full InChI is InChI=1S/C3H5F3O.C3H3F3O.2CH4/c2*1-2(7)3(4,5)6;;/h2,7H,1H3;1H3;2*1H4/t2-;;;/m0.../s1.
What are the key properties of methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one?
methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one has a molecular weight of 258.20 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 157447507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).