benzene;butane;pentahydrofluoride

C18H41F5 — CID 174547907

IUPACbenzene;butane;pentahydrofluoride
SMILESCCCC.CCCC.CCCC.F.F.F.F.F.c1ccccc1
InChIInChI=1S/C6H6.3C4H10.5FH/c1-2-4-6-5-3-1;3*1-3-4-2;;;;;/h1-6H;3*3-4H2,1-2H3;5*1H
InChIKeyJYQKPUDIRLIRIM-UHFFFAOYSA-N
MW352.52 g/mol
LogP7.87
Rot. Bonds3

About benzene;butane;pentahydrofluoride

benzene;butane;pentahydrofluoride (PubChem CID 174547907) has the molecular formula C18H41F5 and a molecular weight of 352.52 g/mol. Its IUPAC name is benzene;butane;pentahydrofluoride.

Molecular Properties

Compound Namebenzene;butane;pentahydrofluoride
PubChem CID174547907
Molecular FormulaC18H41F5
Molecular Weight352.52 g/mol
Exact Mass352.31
IUPAC Namebenzene;butane;pentahydrofluoride
SMILESCCCC.CCCC.CCCC.F.F.F.F.F.c1ccccc1
InChIInChI=1S/C6H6.3C4H10.5FH/c1-2-4-6-5-3-1;3*1-3-4-2;;;;;/h1-6H;3*3-4H2,1-2H3;5*1H
InChIKeyJYQKPUDIRLIRIM-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;butane;pentahydrofluoride?
The IUPAC name of benzene;butane;pentahydrofluoride (CID 174547907) is benzene;butane;pentahydrofluoride.
What is the SMILES notation for benzene;butane;pentahydrofluoride?
The canonical SMILES for benzene;butane;pentahydrofluoride is CCCC.CCCC.CCCC.F.F.F.F.F.c1ccccc1.
What is the InChIKey of benzene;butane;pentahydrofluoride?
The InChIKey is JYQKPUDIRLIRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.3C4H10.5FH/c1-2-4-6-5-3-1;3*1-3-4-2;;;;;/h1-6H;3*3-4H2,1-2H3;5*1H.
What are the key properties of benzene;butane;pentahydrofluoride?
benzene;butane;pentahydrofluoride has a molecular weight of 352.52 g/mol, XLogP of 7.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;butane;pentahydrofluoride is sourced from PubChem (CID 174547907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).