1,1,2,3,3-pentafluorobut-1-ene;propan-2-one

C7H9F5O — CID 140511268

IUPAC1,1,2,3,3-pentafluorobut-1-ene;propan-2-one
SMILESCC(C)=O.CC(F)(F)C(F)=C(F)F
InChIInChI=1S/C4H3F5.C3H6O/c1-4(8,9)2(5)3(6)7;1-3(2)4/h1H3;1-2H3
InChIKeyBHLBGDHPMKJCNS-UHFFFAOYSA-N
MW204.14 g/mol
LogP3.31
Rot. Bonds1

About 1,1,2,3,3-pentafluorobut-1-ene;propan-2-one

1,1,2,3,3-pentafluorobut-1-ene;propan-2-one (PubChem CID 140511268) has the molecular formula C7H9F5O and a molecular weight of 204.14 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluorobut-1-ene;propan-2-one.

Molecular Properties

Compound Name1,1,2,3,3-pentafluorobut-1-ene;propan-2-one
PubChem CID140511268
Molecular FormulaC7H9F5O
Molecular Weight204.14 g/mol
Exact Mass204.06
IUPAC Name1,1,2,3,3-pentafluorobut-1-ene;propan-2-one
SMILESCC(C)=O.CC(F)(F)C(F)=C(F)F
InChIInChI=1S/C4H3F5.C3H6O/c1-4(8,9)2(5)3(6)7;1-3(2)4/h1H3;1-2H3
InChIKeyBHLBGDHPMKJCNS-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,5-Trifluoropent-4-en-2-one
CID 58818971
3,3,4,4,4-Pentafluorobut-1-ene;propan-2-one
CID 158063415
1,1,2,3,3,3-Hexafluoroprop-1-ene;propan-2-one
CID 161718032
4,4-Difluorobut-3-en-2-one;ethane
CID 144473679
1,1-Difluoroethene;1,1,2,3,3,3-hexafluoroprop-1-ene;propan-2-one
CID 174716438

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluorobut-1-ene;propan-2-one?
The IUPAC name of 1,1,2,3,3-pentafluorobut-1-ene;propan-2-one (CID 140511268) is 1,1,2,3,3-pentafluorobut-1-ene;propan-2-one.
What is the SMILES notation for 1,1,2,3,3-pentafluorobut-1-ene;propan-2-one?
The canonical SMILES for 1,1,2,3,3-pentafluorobut-1-ene;propan-2-one is CC(C)=O.CC(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluorobut-1-ene;propan-2-one?
The InChIKey is BHLBGDHPMKJCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5.C3H6O/c1-4(8,9)2(5)3(6)7;1-3(2)4/h1H3;1-2H3.
What are the key properties of 1,1,2,3,3-pentafluorobut-1-ene;propan-2-one?
1,1,2,3,3-pentafluorobut-1-ene;propan-2-one has a molecular weight of 204.14 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluorobut-1-ene;propan-2-one is sourced from PubChem (CID 140511268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).