difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane

C14H26F14O3 — CID 123616702

IUPACdifluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane
SMILESCC(C)(CF)OC(F)(F)C(F)(F)F.CCC(F)(F)F.CCF.COF.COF.FCF
InChIInChI=1S/C6H8F6O.C3H5F3.C2H5F.CH2F2.2CH3FO/c1-4(2,3-7)13-6(11,12)5(8,9)10;1-2-3(4,5)6;1-2-3;2-1-3;2*1-3-2/h3H2,1-2H3;2H2,1H3;2H2,1H3;1H2;2*1H3
InChIKeyBACISWVBINSPLE-UHFFFAOYSA-N
MW508.33 g/mol
LogP7.76
Rot. Bonds3

About difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane

difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane (PubChem CID 123616702) has the molecular formula C14H26F14O3 and a molecular weight of 508.33 g/mol. Its IUPAC name is difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane.

Molecular Properties

Compound Namedifluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane
PubChem CID123616702
Molecular FormulaC14H26F14O3
Molecular Weight508.33 g/mol
Exact Mass508.17
IUPAC Namedifluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane
SMILESCC(C)(CF)OC(F)(F)C(F)(F)F.CCC(F)(F)F.CCF.COF.COF.FCF
InChIInChI=1S/C6H8F6O.C3H5F3.C2H5F.CH2F2.2CH3FO/c1-4(2,3-7)13-6(11,12)5(8,9)10;1-2-3(4,5)6;1-2-3;2-1-3;2*1-3-2/h3H2,1-2H3;2H2,1H3;2H2,1H3;1H2;2*1H3
InChIKeyBACISWVBINSPLE-UHFFFAOYSA-N
XLogP7.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.33
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

methoxymethane;1,1,1,2,2-pentafluoropropane;1,1,1,2-tetrafluoroethane
CID 158386104
1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane
CID 59492085
(1,1-difluoro-2-hydroxyethyl) hypofluorite;difluoromethane;2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanol;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethanol;1,1,1,3,3,3-hexafluoropropane;methane;1,2,2-trifluoropropane
CID 158178296
1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
CID 161114745
2-fluoroethyl hypofluorite;methyl hypofluorite;1,1,1-trifluorobutane
CID 91023301
3-fluoro-3-(trifluoromethyl)pentane
CID 59742437
methanamine;1,1,1-trifluoropropane;hydrochloride
CID 175403135
(2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane
CID 89245722
2-fluoro-2,4,4-trimethylhexane
CID 155702638
1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane
CID 154595647
2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane
CID 134576174
1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane
CID 131973030

Frequently Asked Questions

What is the IUPAC name of difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane?
The IUPAC name of difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane (CID 123616702) is difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane.
What is the SMILES notation for difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane?
The canonical SMILES for difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane is CC(C)(CF)OC(F)(F)C(F)(F)F.CCC(F)(F)F.CCF.COF.COF.FCF.
What is the InChIKey of difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane?
The InChIKey is BACISWVBINSPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O.C3H5F3.C2H5F.CH2F2.2CH3FO/c1-4(2,3-7)13-6(11,12)5(8,9)10;1-2-3(4,5)6;1-2-3;2-1-3;2*1-3-2/h3H2,1-2H3;2H2,1H3;2H2,1H3;1H2;2*1H3.
What are the key properties of difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane?
difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane has a molecular weight of 508.33 g/mol, XLogP of 7.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane is sourced from PubChem (CID 123616702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).