1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium

C13H14Cl2Hf — CID 87201732

IUPAC1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium
SMILESCC1=CCC(Cl)=C1CC1=C(Cl)CC=C1C.[Hf]
InChIInChI=1S/C13H14Cl2.Hf/c1-8-3-5-12(14)10(8)7-11-9(2)4-6-13(11)15;/h3-4H,5-7H2,1-2H3;
InChIKeyYGQMXNFIRCJAOA-UHFFFAOYSA-N
MW419.65 g/mol
LogP5.06
Rot. Bonds2

About 1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium

1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium (PubChem CID 87201732) has the molecular formula C13H14Cl2Hf and a molecular weight of 419.65 g/mol. Its IUPAC name is 1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium.

Molecular Properties

Compound Name1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium
PubChem CID87201732
Molecular FormulaC13H14Cl2Hf
Molecular Weight419.65 g/mol
Exact Mass419.99
IUPAC Name1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium
SMILESCC1=CCC(Cl)=C1CC1=C(Cl)CC=C1C.[Hf]
InChIInChI=1S/C13H14Cl2.Hf/c1-8-3-5-12(14)10(8)7-11-9(2)4-6-13(11)15;/h3-4H,5-7H2,1-2H3;
InChIKeyYGQMXNFIRCJAOA-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.65
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium?
The IUPAC name of 1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium (CID 87201732) is 1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium.
What is the SMILES notation for 1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium?
The canonical SMILES for 1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium is CC1=CCC(Cl)=C1CC1=C(Cl)CC=C1C.[Hf].
What is the InChIKey of 1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium?
The InChIKey is YGQMXNFIRCJAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2.Hf/c1-8-3-5-12(14)10(8)7-11-9(2)4-6-13(11)15;/h3-4H,5-7H2,1-2H3;.
What are the key properties of 1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium?
1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium has a molecular weight of 419.65 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]-3-methylcyclopenta-1,3-diene;hafnium is sourced from PubChem (CID 87201732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).