difluoromethane;methyl hypofluorite;1,1,1-trifluoropropane

C5H10F6O — CID 123587671

IUPACdifluoromethane;methyl hypofluorite;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.COF.FCF
InChIInChI=1S/C3H5F3.CH2F2.CH3FO/c1-2-3(4,5)6;2-1-3;1-3-2/h2H2,1H3;1H2;1H3
InChIKeyAPUVLFAKJSKMPB-UHFFFAOYSA-N
MW200.12 g/mol
LogP3.36
Rot. Bonds

About difluoromethane;methyl hypofluorite;1,1,1-trifluoropropane

difluoromethane;methyl hypofluorite;1,1,1-trifluoropropane (PubChem CID 123587671) has the molecular formula C5H10F6O and a molecular weight of 200.12 g/mol. Its IUPAC name is difluoromethane;methyl hypofluorite;1,1,1-trifluoropropane.

Molecular Properties

Compound Namedifluoromethane;methyl hypofluorite;1,1,1-trifluoropropane
PubChem CID123587671
Molecular FormulaC5H10F6O
Molecular Weight200.12 g/mol
Exact Mass200.06
IUPAC Namedifluoromethane;methyl hypofluorite;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.COF.FCF
InChIInChI=1S/C3H5F3.CH2F2.CH3FO/c1-2-3(4,5)6;2-1-3;1-3-2/h2H2,1H3;1H2;1H3
InChIKeyAPUVLFAKJSKMPB-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of difluoromethane;methyl hypofluorite;1,1,1-trifluoropropane?
The IUPAC name of difluoromethane;methyl hypofluorite;1,1,1-trifluoropropane (CID 123587671) is difluoromethane;methyl hypofluorite;1,1,1-trifluoropropane.
What is the SMILES notation for difluoromethane;methyl hypofluorite;1,1,1-trifluoropropane?
The canonical SMILES for difluoromethane;methyl hypofluorite;1,1,1-trifluoropropane is CCC(F)(F)F.COF.FCF.
What is the InChIKey of difluoromethane;methyl hypofluorite;1,1,1-trifluoropropane?
The InChIKey is APUVLFAKJSKMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3.CH2F2.CH3FO/c1-2-3(4,5)6;2-1-3;1-3-2/h2H2,1H3;1H2;1H3.
What are the key properties of difluoromethane;methyl hypofluorite;1,1,1-trifluoropropane?
difluoromethane;methyl hypofluorite;1,1,1-trifluoropropane has a molecular weight of 200.12 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;methyl hypofluorite;1,1,1-trifluoropropane is sourced from PubChem (CID 123587671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).