iron(3+);1,1,1-trifluoropentane

C5H9F3Fe+3 — CID 161198772

IUPACiron(3+);1,1,1-trifluoropentane
SMILESCCCCC(F)(F)F.[Fe+3]
InChIInChI=1S/C5H9F3.Fe/c1-2-3-4-5(6,7)8;/h2-4H2,1H3;/q;+3
InChIKeyUURWDTPRZSDKMM-UHFFFAOYSA-N
MW181.97 g/mol
LogP2.74
Rot. Bonds2

About iron(3+);1,1,1-trifluoropentane

iron(3+);1,1,1-trifluoropentane (PubChem CID 161198772) has the molecular formula C5H9F3Fe+3 and a molecular weight of 181.97 g/mol. Its IUPAC name is iron(3+);1,1,1-trifluoropentane.

Molecular Properties

Compound Nameiron(3+);1,1,1-trifluoropentane
PubChem CID161198772
Molecular FormulaC5H9F3Fe+3
Molecular Weight181.97 g/mol
Exact Mass182.00
IUPAC Nameiron(3+);1,1,1-trifluoropentane
SMILESCCCCC(F)(F)F.[Fe+3]
InChIInChI=1S/C5H9F3.Fe/c1-2-3-4-5(6,7)8;/h2-4H2,1H3;/q;+3
InChIKeyUURWDTPRZSDKMM-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.97
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluorohexadecane
CID 15685316
3-methylbut-1-ene;1,1,1-trifluoropentane
CID 177138498
1,1,1,7,7-pentafluoroheptadecane
CID 54180623
5,5-difluorononane
CID 21410163
1-(4,4,4-trifluorobutoxy)heptane
CID 54323453
1,1,1-trifluorooctane;trimethoxysilane
CID 175508235
1,1,1-trifluoro-11,11-dipropyltetradecane
CID 160800982
ethane;2-fluoro-2-methylhexane
CID 142890341
6-butyl-6-fluoroundecane
CID 11424735
1-butyl-4-[4-(5,5,5-trifluoropentyl)cyclohexyl]cyclohexane
CID 57322732
1-pentyl-4-[4-(5,5,5-trifluoropentyl)cyclohexyl]cyclohexane
CID 57002742
1,1,1-trifluoro-6-methylidenedecane
CID 146018318

Frequently Asked Questions

What is the IUPAC name of iron(3+);1,1,1-trifluoropentane?
The IUPAC name of iron(3+);1,1,1-trifluoropentane (CID 161198772) is iron(3+);1,1,1-trifluoropentane.
What is the SMILES notation for iron(3+);1,1,1-trifluoropentane?
The canonical SMILES for iron(3+);1,1,1-trifluoropentane is CCCCC(F)(F)F.[Fe+3].
What is the InChIKey of iron(3+);1,1,1-trifluoropentane?
The InChIKey is UURWDTPRZSDKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3.Fe/c1-2-3-4-5(6,7)8;/h2-4H2,1H3;/q;+3.
What are the key properties of iron(3+);1,1,1-trifluoropentane?
iron(3+);1,1,1-trifluoropentane has a molecular weight of 181.97 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron(3+);1,1,1-trifluoropentane is sourced from PubChem (CID 161198772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).