dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile

C9H7Cl2F2NOPt — CID 159199429

IUPACdichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile
SMILESCl[Pt]Cl.N#CCc1ccccc1OC(F)F
InChIInChI=1S/C9H7F2NO.2ClH.Pt/c10-9(11)13-8-4-2-1-3-7(8)5-6-12;;;/h1-4,9H,5H2;2*1H;/q;;;+2/p-2
InChIKeyKPCBYOZVMISHQT-UHFFFAOYSA-L
MW449.14 g/mol
LogP3.73
Rot. Bonds3

About dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile

dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile (PubChem CID 159199429) has the molecular formula C9H7Cl2F2NOPt and a molecular weight of 449.14 g/mol. Its IUPAC name is dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Namedichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile
PubChem CID159199429
Molecular FormulaC9H7Cl2F2NOPt
Molecular Weight449.14 g/mol
Exact Mass447.95
IUPAC Namedichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile
SMILESCl[Pt]Cl.N#CCc1ccccc1OC(F)F
InChIInChI=1S/C9H7F2NO.2ClH.Pt/c10-9(11)13-8-4-2-1-3-7(8)5-6-12;;;/h1-4,9H,5H2;2*1H;/q;;;+2/p-2
InChIKeyKPCBYOZVMISHQT-UHFFFAOYSA-L
XLogP3.73
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.14
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
2-[2-(difluoromethoxy)-5-fluorophenyl]acetonitrile
CID 118808935
4-[2-(difluoromethoxy)phenyl]-3-methylbutanenitrile
CID 175314138
2-[2-(10,10-difluorodecoxy)phenyl]acetonitrile
CID 151705532
2-[2-(cyanomethoxy)phenyl]acetonitrile
CID 55267337
2-[2-amino-5-[2-(difluoromethoxy)anilino]phenyl]acetonitrile
CID 102623842
[2-(difluoromethoxy)phenyl] cyanate
CID 174981539
2-(2-pentoxyphenyl)acetonitrile
CID 19869712
1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene
CID 21025673
2-[2-[4-(4-bromophenyl)butan-2-yloxy]phenyl]acetonitrile
CID 54381706
2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile
CID 118998262
N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
CID 64866201

Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile?
The IUPAC name of dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile (CID 159199429) is dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile.
What is the SMILES notation for dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile?
The canonical SMILES for dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile is Cl[Pt]Cl.N#CCc1ccccc1OC(F)F.
What is the InChIKey of dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile?
The InChIKey is KPCBYOZVMISHQT-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7F2NO.2ClH.Pt/c10-9(11)13-8-4-2-1-3-7(8)5-6-12;;;/h1-4,9H,5H2;2*1H;/q;;;+2/p-2.
What are the key properties of dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile?
dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile has a molecular weight of 449.14 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile is sourced from PubChem (CID 159199429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).