butyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane

C9H10AsF11 — CID 173244624

IUPACbutyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane
SMILESCCCC[AsH]C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10AsF11/c1-2-3-4-10-7(14,15)6(12,13)5(11,8(16,17)18)9(19,20)21/h10H,2-4H2,1H3
InChIKeyLQEWJKYRFYGIRN-UHFFFAOYSA-N
MW402.08 g/mol
LogP4.70
Rot. Bonds6

About butyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane

butyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane (PubChem CID 173244624) has the molecular formula C9H10AsF11 and a molecular weight of 402.08 g/mol. Its IUPAC name is butyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane.

Molecular Properties

Compound Namebutyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane
PubChem CID173244624
Molecular FormulaC9H10AsF11
Molecular Weight402.08 g/mol
Exact Mass401.98
IUPAC Namebutyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane
SMILESCCCC[AsH]C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10AsF11/c1-2-3-4-10-7(14,15)6(12,13)5(11,8(16,17)18)9(19,20)21/h10H,2-4H2,1H3
InChIKeyLQEWJKYRFYGIRN-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.08
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane
CID 150873626
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane
CID 167303486
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-propoxy-2-(trifluoromethyl)octane
CID 135287934
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane
CID 54245833
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
bis(2,2,3,3,4,4,4-heptafluorobutyl)tin;1-hexoxyhexane
CID 160777229
11,11,12,13,14,15,15-heptafluoro-10,16-di(nonyl)-12,13,14-tris(trifluoromethyl)pentacosane
CID 58991617
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorodecane
CID 175798759
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane
CID 89358349

Frequently Asked Questions

What is the IUPAC name of butyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane?
The IUPAC name of butyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane (CID 173244624) is butyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane.
What is the SMILES notation for butyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane?
The canonical SMILES for butyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane is CCCC[AsH]C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of butyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane?
The InChIKey is LQEWJKYRFYGIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10AsF11/c1-2-3-4-10-7(14,15)6(12,13)5(11,8(16,17)18)9(19,20)21/h10H,2-4H2,1H3.
What are the key properties of butyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane?
butyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane has a molecular weight of 402.08 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane is sourced from PubChem (CID 173244624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).