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

C17H32F18 — CID 161261596

IUPACfluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane
SMILESCC(F)(CF)C(F)(F)F.CC(F)(F)CC(F)(F)F.CC(F)(F)CF.CCF.CF.CF.CF.CF
InChIInChI=1S/2C4H5F5.C3H5F3.C2H5F.4CH3F/c1-3(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;4*1-2/h2*2H2,1H3;2H2,1H3;2H2,1H3;4*1H3
InChIKeyVCPUOZJUHGRYMW-UHFFFAOYSA-N
MW578.41 g/mol
LogP9.77
Rot. Bonds3

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

fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane (PubChem CID 161261596) has the molecular formula C17H32F18 and a molecular weight of 578.41 g/mol. Its IUPAC name is fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane.

Molecular Properties

Compound Namefluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane
PubChem CID161261596
Molecular FormulaC17H32F18
Molecular Weight578.41 g/mol
Exact Mass578.22
IUPAC Namefluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane
SMILESCC(F)(CF)C(F)(F)F.CC(F)(F)CC(F)(F)F.CC(F)(F)CF.CCF.CF.CF.CF.CF
InChIInChI=1S/2C4H5F5.C3H5F3.C2H5F.4CH3F/c1-3(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;4*1-2/h2*2H2,1H3;2H2,1H3;2H2,1H3;4*1H3
InChIKeyVCPUOZJUHGRYMW-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.41
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
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
1,4-bis(trifluoromethyl)benzene;1,1,1,3,3-pentafluorobutane
CID 174165148
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
(2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane
CID 89245722
1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane
CID 87155127
1,1,1-trifluoro-3,3-dimethylpentane
CID 21014884
fluoromethane;1,1,2-trifluoro-1-(fluoromethoxy)ethane;1,2,2-trifluoropropane
CID 91351347
2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane
CID 155017476
1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
CID 161114745
methoxymethane;1,1,1,2,2-pentafluoropropane;1,1,1,2-tetrafluoroethane
CID 158386104

Frequently Asked Questions

What is the IUPAC name of fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane?
The IUPAC name of fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane (CID 161261596) is fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane.
What is the SMILES notation for fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane?
The canonical SMILES for fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane is CC(F)(CF)C(F)(F)F.CC(F)(F)CC(F)(F)F.CC(F)(F)CF.CCF.CF.CF.CF.CF.
What is the InChIKey of fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane?
The InChIKey is VCPUOZJUHGRYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5F5.C3H5F3.C2H5F.4CH3F/c1-3(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;4*1-2/h2*2H2,1H3;2H2,1H3;2H2,1H3;4*1H3.
What are the key properties of fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane?
fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane has a molecular weight of 578.41 g/mol, XLogP of 9.77, 3 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;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane is sourced from PubChem (CID 161261596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).