2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine

C7H4Cl2F2N2 — CID 176758507

IUPAC2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine
SMILESFC1(F)CCc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C7H4Cl2F2N2/c8-5-4-3(12-6(9)13-5)1-2-7(4,10)11/h1-2H2
InChIKeyVABLJSGPDWTXDJ-UHFFFAOYSA-N
MW225.02 g/mol
LogP2.82
Rot. Bonds

About 2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine

2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine (PubChem CID 176758507) has the molecular formula C7H4Cl2F2N2 and a molecular weight of 225.02 g/mol. Its IUPAC name is 2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine
PubChem CID176758507
Molecular FormulaC7H4Cl2F2N2
Molecular Weight225.02 g/mol
Exact Mass223.97
IUPAC Name2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine
SMILESFC1(F)CCc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C7H4Cl2F2N2/c8-5-4-3(12-6(9)13-5)1-2-7(4,10)11/h1-2H2
InChIKeyVABLJSGPDWTXDJ-UHFFFAOYSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.02
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-5H,6H,7H-cyclopenta(d)pyrimidine
CID 231331
4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine
CID 351135
2-chloro-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
CID 10241226
4-chloro-5H,6H,7H-cyclopenta[d]pyrimidine
CID 13312449
2,4-dichloro-5H,6H,7H,8H,9H,10H-cycloocta(d)pyrimidine
CID 65712280
2,4-dichloro-7,7-dimethyl-5H,6H,7H-cyclopenta(d)pyrimidine
CID 79863309
2,4-dichloro-6,6-dimethyl-5H,6H,7H-cyclopenta[d]pyrimidine
CID 84682407
2,4-Dichloro-6-ethyl-5-propan-2-ylpyrimidine
CID 10513045
2,4-Dichloro-5,6-diethylpyrimidine
CID 22951070
5-Butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine
CID 15232881
4-Chloro-6-methyl-5-propyl-2-(trifluoromethyl)pyrimidine
CID 15232882
4-Chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine
CID 15312428

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine?
The IUPAC name of 2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine (CID 176758507) is 2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine?
The canonical SMILES for 2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine is FC1(F)CCc2nc(Cl)nc(Cl)c21.
What is the InChIKey of 2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine?
The InChIKey is VABLJSGPDWTXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2N2/c8-5-4-3(12-6(9)13-5)1-2-7(4,10)11/h1-2H2.
What are the key properties of 2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine?
2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine has a molecular weight of 225.02 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidine is sourced from PubChem (CID 176758507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).