difluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane

C6H9F11O — CID 160997401

IUPACdifluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.FC(F)(F)F.FCF.FCOF
InChIInChI=1S/C3H5F3.CF4.CH2F2O.CH2F2/c1-2-3(4,5)6;2-1(3,4)5;2-1-4-3;2-1-3/h2H2,1H3;;1H2;1H2
InChIKeyTVKVGIVSMHWKGT-UHFFFAOYSA-N
MW306.12 g/mol
LogP5.13
Rot. Bonds1

About difluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane

difluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane (PubChem CID 160997401) has the molecular formula C6H9F11O and a molecular weight of 306.12 g/mol. Its IUPAC name is difluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane.

Molecular Properties

Compound Namedifluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane
PubChem CID160997401
Molecular FormulaC6H9F11O
Molecular Weight306.12 g/mol
Exact Mass306.05
IUPAC Namedifluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.FC(F)(F)F.FCF.FCOF
InChIInChI=1S/C3H5F3.CF4.CH2F2O.CH2F2/c1-2-3(4,5)6;2-1(3,4)5;2-1-4-3;2-1-3/h2H2,1H3;;1H2;1H2
InChIKeyTVKVGIVSMHWKGT-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.12
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 87370905
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CID 87371548
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CID 87372913
CID 87372913

Frequently Asked Questions

What is the IUPAC name of difluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane?
The IUPAC name of difluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane (CID 160997401) is difluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane.
What is the SMILES notation for difluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane?
The canonical SMILES for difluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane is CCC(F)(F)F.FC(F)(F)F.FCF.FCOF.
What is the InChIKey of difluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane?
The InChIKey is TVKVGIVSMHWKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3.CF4.CH2F2O.CH2F2/c1-2-3(4,5)6;2-1(3,4)5;2-1-4-3;2-1-3/h2H2,1H3;;1H2;1H2.
What are the key properties of difluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane?
difluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane has a molecular weight of 306.12 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;fluoromethyl hypofluorite;tetrafluoromethane;1,1,1-trifluoropropane is sourced from PubChem (CID 160997401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).