1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane

C9F18O — CID 170513614

IUPAC1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane
SMILESFC(F)=C(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9F18O/c10-1(2(11)12)3(13,14)28-4(7(19,20)21,5(15,16)8(22,23)24)6(17,18)9(25,26)27
InChIKeySCPCABQXQXVRPD-UHFFFAOYSA-N
MW466.06 g/mol
LogP6.37
Rot. Bonds5

About 1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane

1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane (PubChem CID 170513614) has the molecular formula C9F18O and a molecular weight of 466.06 g/mol. Its IUPAC name is 1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane
PubChem CID170513614
Molecular FormulaC9F18O
Molecular Weight466.06 g/mol
Exact Mass465.97
IUPAC Name1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane
SMILESFC(F)=C(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9F18O/c10-1(2(11)12)3(13,14)28-4(7(19,20)21,5(15,16)8(22,23)24)6(17,18)9(25,26)27
InChIKeySCPCABQXQXVRPD-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.06
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane
CID 86252912
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-bis(1,1,2,3,3-pentafluoroprop-2-enoxy)hexane
CID 20507002
1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine
CID 170513623
1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine
CID 142605367
1,1,2,2,3,3-hexafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)ethoxy]-3-(trifluoromethoxy)propane
CID 175703673
1,1,2,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(1,1,2,3,4,4,5,5,6,6,7,7,7-tridecafluorohept-2-enoxy)hept-2-ene
CID 154941709
1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]prop-1-ene
CID 175690413
1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene
CID 89441122
1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate
CID 139608619
O-(1,1,2,3,3-pentafluoroprop-2-enyl)hydroxylamine
CID 22378279
1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene
CID 98117232
3,3,4,4-tetrafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)but-1-ene
CID 175690130

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane (CID 170513614) is 1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane is FC(F)=C(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane?
The InChIKey is SCPCABQXQXVRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F18O/c10-1(2(11)12)3(13,14)28-4(7(19,20)21,5(15,16)8(22,23)24)6(17,18)9(25,26)27.
What are the key properties of 1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane?
1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane has a molecular weight of 466.06 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane is sourced from PubChem (CID 170513614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).