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

C7H4Cl2F2N2 — CID 154663265

IUPAC2,4-dichloro-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidine
SMILESFC1(F)CCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C7H4Cl2F2N2/c8-5-3-1-2-7(10,11)4(3)12-6(9)13-5/h1-2H2
InChIKeyLVDYMQUENGQVEB-UHFFFAOYSA-N
MW225.02 g/mol
LogP2.82
Rot. Bonds

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

2,4-dichloro-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidine (PubChem CID 154663265) has the molecular formula C7H4Cl2F2N2 and a molecular weight of 225.02 g/mol. Its IUPAC name is 2,4-dichloro-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidine
PubChem CID154663265
Molecular FormulaC7H4Cl2F2N2
Molecular Weight225.02 g/mol
Exact Mass223.97
IUPAC Name2,4-dichloro-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidine
SMILESFC1(F)CCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C7H4Cl2F2N2/c8-5-3-1-2-7(10,11)4(3)12-6(9)13-5/h1-2H2
InChIKeyLVDYMQUENGQVEB-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidine?
The IUPAC name of 2,4-dichloro-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidine (CID 154663265) is 2,4-dichloro-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidine is FC1(F)CCc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,4-dichloro-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidine?
The InChIKey is LVDYMQUENGQVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2N2/c8-5-3-1-2-7(10,11)4(3)12-6(9)13-5/h1-2H2.
What are the key properties of 2,4-dichloro-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidine?
2,4-dichloro-7,7-difluoro-5,6-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-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidine is sourced from PubChem (CID 154663265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).