fluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane

C14H33F9O — CID 158406667

IUPACfluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane
SMILESC.C.C.C.CCC(C)OC(F)(F)F.CCF.FCC(F)C(F)(F)F
InChIInChI=1S/C5H9F3O.C3H3F5.C2H5F.4CH4/c1-3-4(2)9-5(6,7)8;4-1-2(5)3(6,7)8;1-2-3;;;;/h4H,3H2,1-2H3;2H,1H2;2H2,1H3;4*1H4
InChIKeyGYUCBEADYGKUDI-UHFFFAOYSA-N
MW388.40 g/mol
LogP7.70
Rot. Bonds3

About fluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane

fluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane (PubChem CID 158406667) has the molecular formula C14H33F9O and a molecular weight of 388.40 g/mol. Its IUPAC name is fluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane.

Molecular Properties

Compound Namefluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane
PubChem CID158406667
Molecular FormulaC14H33F9O
Molecular Weight388.40 g/mol
Exact Mass388.24
IUPAC Namefluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane
SMILESC.C.C.C.CCC(C)OC(F)(F)F.CCF.FCC(F)C(F)(F)F
InChIInChI=1S/C5H9F3O.C3H3F5.C2H5F.4CH4/c1-3-4(2)9-5(6,7)8;4-1-2(5)3(6,7)8;1-2-3;;;;/h4H,3H2,1-2H3;2H,1H2;2H2,1H3;4*1H4
InChIKeyGYUCBEADYGKUDI-UHFFFAOYSA-N
XLogP7.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.40
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane
CID 162348184
2-(trifluoromethoxy)undecane
CID 150054524
methane;bis(1,1,1-trifluoro-2-methylbutane)
CID 161468876
N-methyl-3-(trifluoromethoxy)butan-1-amine
CID 178126926
2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane
CID 87588712
(3R)-3-(trifluoromethoxy)butanoic acid
CID 107876657
3-(trifluoromethoxy)butanoic acid
CID 87118364
1,1,1,2,3,3,4,5-octafluoropentane
CID 86184237
butan-2-yloxy(dimethyl)silane
CID 123806179
3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol
CID 21353311
4,5,5,5-tetrafluoro-N-methylpentan-2-amine
CID 84731998
methane;2-methoxybutane
CID 162124465

Frequently Asked Questions

What is the IUPAC name of fluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane?
The IUPAC name of fluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane (CID 158406667) is fluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane.
What is the SMILES notation for fluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane?
The canonical SMILES for fluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane is C.C.C.C.CCC(C)OC(F)(F)F.CCF.FCC(F)C(F)(F)F.
What is the InChIKey of fluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane?
The InChIKey is GYUCBEADYGKUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O.C3H3F5.C2H5F.4CH4/c1-3-4(2)9-5(6,7)8;4-1-2(5)3(6,7)8;1-2-3;;;;/h4H,3H2,1-2H3;2H,1H2;2H2,1H3;4*1H4.
What are the key properties of fluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane?
fluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane has a molecular weight of 388.40 g/mol, XLogP of 7.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;methane;1,1,1,2,3-pentafluoropropane;2-(trifluoromethoxy)butane is sourced from PubChem (CID 158406667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).