1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane

C6F12O — CID 86252912

IUPAC1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane
SMILESFC(F)=C(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F12O/c7-1(2(8)9)3(10,11)19-6(17,18)4(12,13)5(14,15)16
InChIKeyNMIIWCRFNNKLNX-UHFFFAOYSA-N
MW316.04 g/mol
LogP4.46
Rot. Bonds4

About 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane

1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane (PubChem CID 86252912) has the molecular formula C6F12O and a molecular weight of 316.04 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane
PubChem CID86252912
Molecular FormulaC6F12O
Molecular Weight316.04 g/mol
Exact Mass315.98
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane
SMILESFC(F)=C(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F12O/c7-1(2(8)9)3(10,11)19-6(17,18)4(12,13)5(14,15)16
InChIKeyNMIIWCRFNNKLNX-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.04
LogP ≤ 54.46
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

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-bis(1,1,2,3,3-pentafluoroprop-2-enoxy)hexane
CID 20507002
1,1,2,2,3,3-hexafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)ethoxy]-3-(trifluoromethoxy)propane
CID 175703673
1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane
CID 170513614
1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane
CID 20525335
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
1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]prop-1-ene
CID 175690413
3,3,4,4-tetrafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)but-1-ene
CID 175690130
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,1,2,2,3,3,4,5,5-nonafluoropent-4-enoxy)pent-1-ene
CID 87892167
4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine
CID 138750246
1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane
CID 175694142
sodium 1,1,2,2-tetrafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)ethanesulfonate
CID 175755990
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane (CID 86252912) is 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane is FC(F)=C(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane?
The InChIKey is NMIIWCRFNNKLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12O/c7-1(2(8)9)3(10,11)19-6(17,18)4(12,13)5(14,15)16.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane?
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane has a molecular weight of 316.04 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane is sourced from PubChem (CID 86252912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).