1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene

C6H5F9 — CID 118107957

IUPAC1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene
SMILESF/C=C\C(F)(F)F.FC(F)CC(F)(F)F
InChIInChI=1S/C3H3F5.C3H2F4/c4-2(5)1-3(6,7)8;4-2-1-3(5,6)7/h2H,1H2;1-2H/b;2-1-
InChIKeyNFFSAKDMSUXZHJ-BTJKTKAUSA-N
MW248.09 g/mol
LogP4.24
Rot. Bonds1

About 1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene

1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene (PubChem CID 118107957) has the molecular formula C6H5F9 and a molecular weight of 248.09 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene
PubChem CID118107957
Molecular FormulaC6H5F9
Molecular Weight248.09 g/mol
Exact Mass248.02
IUPAC Name1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene
SMILESF/C=C\C(F)(F)F.FC(F)CC(F)(F)F
InChIInChI=1S/C3H3F5.C3H2F4/c4-2(5)1-3(6,7)8;4-2-1-3(5,6)7/h2H,1H2;1-2H/b;2-1-
InChIKeyNFFSAKDMSUXZHJ-BTJKTKAUSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane
CID 90282303
carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene
CID 170161980
ethane;ethene;methane;(E)-1,3,3,3-tetrafluoroprop-1-ene
CID 158306037
2-(difluoromethyl)-4,4,4-trifluorobutanal
CID 84767037
decan-1-amine;1,1,1,3,3-pentafluoropropane
CID 160700488
1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene
CID 160696871
1,1,3,3-tetrafluoro-1-iodopropane
CID 129244940
1,3,3,3-tetrafluoropropan-1-ol;hydrate
CID 153370161
1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane
CID 88585021
(3S)-1,1,1-trifluoro-3-iodobutane
CID 95036326
(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane
CID 90329560
2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane
CID 177246319

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene?
The IUPAC name of 1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene (CID 118107957) is 1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene.
What is the SMILES notation for 1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene?
The canonical SMILES for 1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene is F/C=C\C(F)(F)F.FC(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene?
The InChIKey is NFFSAKDMSUXZHJ-BTJKTKAUSA-N. The full InChI is InChI=1S/C3H3F5.C3H2F4/c4-2(5)1-3(6,7)8;4-2-1-3(5,6)7/h2H,1H2;1-2H/b;2-1-.
What are the key properties of 1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene?
1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene has a molecular weight of 248.09 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene is sourced from PubChem (CID 118107957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).