1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene

C8H6F10 — CID 158927700

IUPAC1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene
SMILESFC(F)=CC(F)C(F)F.FC(F)=CCC(F)(F)F
InChIInChI=1S/2C4H3F5/c5-3(6)1-2-4(7,8)9;5-2(4(8)9)1-3(6)7/h1H,2H2;1-2,4H
InChIKeyJIQMOBBSJNIDBV-UHFFFAOYSA-N
MW292.12 g/mol
LogP5.09
Rot. Bonds3

About 1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene

1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene (PubChem CID 158927700) has the molecular formula C8H6F10 and a molecular weight of 292.12 g/mol. Its IUPAC name is 1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene.

Molecular Properties

Compound Name1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene
PubChem CID158927700
Molecular FormulaC8H6F10
Molecular Weight292.12 g/mol
Exact Mass292.03
IUPAC Name1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene
SMILESFC(F)=CC(F)C(F)F.FC(F)=CCC(F)(F)F
InChIInChI=1S/2C4H3F5/c5-3(6)1-2-4(7,8)9;5-2(4(8)9)1-3(6)7/h1H,2H2;1-2,4H
InChIKeyJIQMOBBSJNIDBV-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.12
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,3,4,5,6,7,7-octafluorohept-1-ene
CID 87084201
(Z)-1-bromo-1,3,4,4-tetrafluorobut-1-ene
CID 22561197
(Z)-5,5,5-trifluoropent-2-en-2-amine
CID 155429423
chloromethane;1,1,3,3-tetrafluoroprop-1-ene
CID 174584065
2,4,5,5-tetrafluoropent-2-enamide
CID 175508382
3-bromo-1,1,3-trifluoroprop-1-ene
CID 88814074
5-(3,3,3-trifluoropropylidene)nonane
CID 14400285
5,5,5-trifluoro-2-(trifluoromethyl)pent-2-enoate
CID 53445127
1,1,4-trifluorohexa-1,5-diene
CID 87427925
(2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene
CID 163785608
2-(3,3,3-trifluoropropylidene)butanedioic acid
CID 54284586
1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate
CID 155053272

Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene?
The IUPAC name of 1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene (CID 158927700) is 1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene.
What is the SMILES notation for 1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene?
The canonical SMILES for 1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene is FC(F)=CC(F)C(F)F.FC(F)=CCC(F)(F)F.
What is the InChIKey of 1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene?
The InChIKey is JIQMOBBSJNIDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3F5/c5-3(6)1-2-4(7,8)9;5-2(4(8)9)1-3(6)7/h1H,2H2;1-2,4H.
What are the key properties of 1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene?
1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene has a molecular weight of 292.12 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4,4-pentafluorobut-1-ene;1,1,4,4,4-pentafluorobut-1-ene is sourced from PubChem (CID 158927700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).