fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane

C27H48F28 — CID 160609393

IUPACfluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane
SMILESCC(F)(CF)C(F)(F)F.CC(F)(F)C(F)(F)CF.CC(F)(F)CC(F)(F)F.CC(F)(F)CF.CCC(C)(F)C(F)(F)F.CCF.CF.CF.CF.CF.CF
InChIInChI=1S/C5H8F4.3C4H5F5.C3H5F3.C2H5F.5CH3F/c1-3-4(2,6)5(7,8)9;1-3(6,7)4(8,9)2-5;1-3(6,2-5)4(7,8)9;1-3(5,6)2-4(7,8)9;1-3(5,6)2-4;1-2-3;5*1-2/h3H2,1-2H3;3*2H2,1H3;2H2,1H3;2H2,1H3;5*1H3
InChIKeyRFHSICMVOUKKHN-UHFFFAOYSA-N
MW904.62 g/mol
LogP15.29
Rot. Bonds6

About fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane

fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane (PubChem CID 160609393) has the molecular formula C27H48F28 and a molecular weight of 904.62 g/mol. Its IUPAC name is fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane.

Molecular Properties

Compound Namefluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane
PubChem CID160609393
Molecular FormulaC27H48F28
Molecular Weight904.62 g/mol
Exact Mass904.33
IUPAC Namefluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane
SMILESCC(F)(CF)C(F)(F)F.CC(F)(F)C(F)(F)CF.CC(F)(F)CC(F)(F)F.CC(F)(F)CF.CCC(C)(F)C(F)(F)F.CCF.CF.CF.CF.CF.CF
InChIInChI=1S/C5H8F4.3C4H5F5.C3H5F3.C2H5F.5CH3F/c1-3-4(2,6)5(7,8)9;1-3(6,7)4(8,9)2-5;1-3(6,2-5)4(7,8)9;1-3(5,6)2-4(7,8)9;1-3(5,6)2-4;1-2-3;5*1-2/h3H2,1-2H3;3*2H2,1H3;2H2,1H3;2H2,1H3;5*1H3
InChIKeyRFHSICMVOUKKHN-UHFFFAOYSA-N
XLogP15.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.62
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane with MolForge

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Related Compounds

fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane
CID 161261596
1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane
CID 160964916
(2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane
CID 89245722
2,2,3,3-tetrafluoropentane
CID 12951106
1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
CID 161114745
1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane
CID 59211713
methane;1,1,1,2,3,3,5,5-octafluoro-2-methylhexane
CID 161475388
1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane
CID 59492085
1,1,1,2,3-pentafluoro-2,3-dimethylpentane
CID 88907559
1,1,1-trifluoro-3,3-dimethylpentane
CID 21014884
ethane;1,1,1,2,2,3-hexafluoropropane
CID 143490804
1,1,1,2,2,3-hexafluoropropane;1,1,1,2-tetrafluoroethane
CID 22481284

Frequently Asked Questions

What is the IUPAC name of fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane?
The IUPAC name of fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane (CID 160609393) is fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane.
What is the SMILES notation for fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane?
The canonical SMILES for fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane is CC(F)(CF)C(F)(F)F.CC(F)(F)C(F)(F)CF.CC(F)(F)CC(F)(F)F.CC(F)(F)CF.CCC(C)(F)C(F)(F)F.CCF.CF.CF.CF.CF.CF.
What is the InChIKey of fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane?
The InChIKey is RFHSICMVOUKKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4.3C4H5F5.C3H5F3.C2H5F.5CH3F/c1-3-4(2,6)5(7,8)9;1-3(6,7)4(8,9)2-5;1-3(6,2-5)4(7,8)9;1-3(5,6)2-4(7,8)9;1-3(5,6)2-4;1-2-3;5*1-2/h3H2,1-2H3;3*2H2,1H3;2H2,1H3;2H2,1H3;5*1H3.
What are the key properties of fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane?
fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane has a molecular weight of 904.62 g/mol, XLogP of 15.29, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane is sourced from PubChem (CID 160609393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).