benzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride

C35H69F5NPS — CID 161370525

IUPACbenzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride
SMILESCC.CC.CC.CC.CC.CC.CC.CC.F.FF.FF.c1cc[pH]c1.c1ccccc1.c1ccncc1.c1ccsc1
InChIInChI=1S/C6H6.C5H5N.C4H5P.C4H4S.8C2H6.2F2.FH/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;10*1-2;/h1-6H;1-5H;1-5H;1-4H;8*1-2H3;;;1H
InChIKeyVQKAZWIJBKZOES-UHFFFAOYSA-N
MW661.97 g/mol
LogP16.28
Rot. Bonds

About benzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride

benzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride (PubChem CID 161370525) has the molecular formula C35H69F5NPS and a molecular weight of 661.97 g/mol. Its IUPAC name is benzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride.

Molecular Properties

Compound Namebenzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride
PubChem CID161370525
Molecular FormulaC35H69F5NPS
Molecular Weight661.97 g/mol
Exact Mass661.48
IUPAC Namebenzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride
SMILESCC.CC.CC.CC.CC.CC.CC.CC.F.FF.FF.c1cc[pH]c1.c1ccccc1.c1ccncc1.c1ccsc1
InChIInChI=1S/C6H6.C5H5N.C4H5P.C4H4S.8C2H6.2F2.FH/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;10*1-2;/h1-6H;1-5H;1-5H;1-4H;8*1-2H3;;;1H
InChIKeyVQKAZWIJBKZOES-UHFFFAOYSA-N
XLogP16.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.97
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1H-pyrazole;pyridine;thiophene
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CID 91266138
CID 91266138
ethane;methanamine;pyridine
CID 90762425
pyridine;hydrobromide;hydrochloride
CID 67599995
pyridine
CID 160878650
1,5-diazecine
CID 53440348
pyridine
CID 67755510
thiophene;dihydrofluoride
CID 175081448

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride?
The IUPAC name of benzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride (CID 161370525) is benzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride.
What is the SMILES notation for benzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride?
The canonical SMILES for benzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride is CC.CC.CC.CC.CC.CC.CC.CC.F.FF.FF.c1cc[pH]c1.c1ccccc1.c1ccncc1.c1ccsc1.
What is the InChIKey of benzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride?
The InChIKey is VQKAZWIJBKZOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H5N.C4H5P.C4H4S.8C2H6.2F2.FH/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;10*1-2;/h1-6H;1-5H;1-5H;1-4H;8*1-2H3;;;1H.
What are the key properties of benzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride?
benzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride has a molecular weight of 661.97 g/mol, XLogP of 16.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;molecular fluorine;1H-phosphole;pyridine;thiophene;hydrofluoride is sourced from PubChem (CID 161370525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).