1-fluoropropan-2-one;methane;tetrafluoromethane

C8H21F5O — CID 159658714

IUPAC1-fluoropropan-2-one;methane;tetrafluoromethane
SMILESC.C.C.C.CC(=O)CF.FC(F)(F)F
InChIInChI=1S/C3H5FO.CF4.4CH4/c1-3(5)2-4;2-1(3,4)5;;;;/h2H2,1H3;;4*1H4
InChIKeyMSMXXSYLBBRNCU-UHFFFAOYSA-N
MW228.25 g/mol
LogP4.57
Rot. Bonds1

About 1-fluoropropan-2-one;methane;tetrafluoromethane

1-fluoropropan-2-one;methane;tetrafluoromethane (PubChem CID 159658714) has the molecular formula C8H21F5O and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-fluoropropan-2-one;methane;tetrafluoromethane.

Molecular Properties

Compound Name1-fluoropropan-2-one;methane;tetrafluoromethane
PubChem CID159658714
Molecular FormulaC8H21F5O
Molecular Weight228.25 g/mol
Exact Mass228.15
IUPAC Name1-fluoropropan-2-one;methane;tetrafluoromethane
SMILESC.C.C.C.CC(=O)CF.FC(F)(F)F
InChIInChI=1S/C3H5FO.CF4.4CH4/c1-3(5)2-4;2-1(3,4)5;;;;/h2H2,1H3;;4*1H4
InChIKeyMSMXXSYLBBRNCU-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;1,1,1-trifluoropentane-2,4-dione
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ethanol;propan-2-one;1,1,1,2-tetrafluoroethane
CID 162080870
pentane-2,4-dione;2,2,2-trifluoroacetic acid
CID 161201748
1-hydroxypropan-2-one;methane
CID 159772503
bis(butan-2-one);methane
CID 160665705
4,4,4-trifluoro-3-(fluoromethyl)butan-2-one
CID 141057354
5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one
CID 153345751
4-fluoro-4-methylhexan-2-one
CID 126626777
CID 158271114
CID 158271114
samarium;1,1,1-trifluoropentane-2,4-dione
CID 174544017
1,1,1-trifluoropentane-2,4-dione;zirconium
CID 87257091
potassium;ethyl acetate;fluoroethane;tetrafluoromethane
CID 158924764

Frequently Asked Questions

What is the IUPAC name of 1-fluoropropan-2-one;methane;tetrafluoromethane?
The IUPAC name of 1-fluoropropan-2-one;methane;tetrafluoromethane (CID 159658714) is 1-fluoropropan-2-one;methane;tetrafluoromethane.
What is the SMILES notation for 1-fluoropropan-2-one;methane;tetrafluoromethane?
The canonical SMILES for 1-fluoropropan-2-one;methane;tetrafluoromethane is C.C.C.C.CC(=O)CF.FC(F)(F)F.
What is the InChIKey of 1-fluoropropan-2-one;methane;tetrafluoromethane?
The InChIKey is MSMXXSYLBBRNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO.CF4.4CH4/c1-3(5)2-4;2-1(3,4)5;;;;/h2H2,1H3;;4*1H4.
What are the key properties of 1-fluoropropan-2-one;methane;tetrafluoromethane?
1-fluoropropan-2-one;methane;tetrafluoromethane has a molecular weight of 228.25 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropan-2-one;methane;tetrafluoromethane is sourced from PubChem (CID 159658714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).