barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride

C8H13BaF7 — CID 173311743

IUPACbarium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride
SMILESFCCCC(F)C(F)C(F)C(F)C(F)F.[Ba+2].[H-].[H-]
InChIInChI=1S/C8H11F7.Ba.2H/c9-3-1-2-4(10)5(11)6(12)7(13)8(14)15;;;/h4-8H,1-3H2;;;/q;+2;2*-1
InChIKeyCLFGAGGECMCPLH-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.20
Rot. Bonds7

About barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride

barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride (PubChem CID 173311743) has the molecular formula C8H13BaF7 and a molecular weight of 379.51 g/mol. Its IUPAC name is barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride.

Molecular Properties

Compound Namebarium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride
PubChem CID173311743
Molecular FormulaC8H13BaF7
Molecular Weight379.51 g/mol
Exact Mass380.00
IUPAC Namebarium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride
SMILESFCCCC(F)C(F)C(F)C(F)C(F)F.[Ba+2].[H-].[H-]
InChIInChI=1S/C8H11F7.Ba.2H/c9-3-1-2-4(10)5(11)6(12)7(13)8(14)15;;;/h4-8H,1-3H2;;;/q;+2;2*-1
InChIKeyCLFGAGGECMCPLH-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,4,5,6,7,10-heptafluorodecane-1,1-diol
CID 166745165
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid
CID 134206325
1,2,3,4,5,10-hexafluorodecan-1-ol
CID 166745270
1-(2,3,4,5,6,9-hexafluorononyl)aluminane
CID 174445550
1,2,3,4,9-pentafluorononan-1-ol
CID 166745168
2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium
CID 23123622
2,3,4,5,6,7,8,9,12-nonafluorododecane-1-sulfonate;tetraethylazanium
CID 134206846
2,3,4,5,6,9-hexafluorononyl prop-2-enoate
CID 174535597
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175528961
3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol
CID 166745188
1,3,4,5,6,7,8,9,10,12-decafluorododec-1-ene
CID 173057318
sodium 2,3,4,5,9-pentafluorononane-1-sulfonate
CID 134206972

Frequently Asked Questions

What is the IUPAC name of barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride?
The IUPAC name of barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride (CID 173311743) is barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride.
What is the SMILES notation for barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride?
The canonical SMILES for barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride is FCCCC(F)C(F)C(F)C(F)C(F)F.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride?
The InChIKey is CLFGAGGECMCPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F7.Ba.2H/c9-3-1-2-4(10)5(11)6(12)7(13)8(14)15;;;/h4-8H,1-3H2;;;/q;+2;2*-1.
What are the key properties of barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride?
barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride has a molecular weight of 379.51 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride is sourced from PubChem (CID 173311743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).