2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine

C8H7ClF2N2 — CID 150584047

IUPAC2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine
SMILESFC1(F)CC(c2ccnc(Cl)n2)C1
InChIInChI=1S/C8H7ClF2N2/c9-7-12-2-1-6(13-7)5-3-8(10,11)4-5/h1-2,5H,3-4H2
InChIKeyIOLLKPSJNONTQN-UHFFFAOYSA-N
MW204.61 g/mol
LogP2.64
Rot. Bonds1

About 2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine

2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine (PubChem CID 150584047) has the molecular formula C8H7ClF2N2 and a molecular weight of 204.61 g/mol. Its IUPAC name is 2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine
PubChem CID150584047
Molecular FormulaC8H7ClF2N2
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine
SMILESFC1(F)CC(c2ccnc(Cl)n2)C1
InChIInChI=1S/C8H7ClF2N2/c9-7-12-2-1-6(13-7)5-3-8(10,11)4-5/h1-2,5H,3-4H2
InChIKeyIOLLKPSJNONTQN-UHFFFAOYSA-N
XLogP2.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine?
The IUPAC name of 2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine (CID 150584047) is 2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine is FC1(F)CC(c2ccnc(Cl)n2)C1.
What is the InChIKey of 2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine?
The InChIKey is IOLLKPSJNONTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2/c9-7-12-2-1-6(13-7)5-3-8(10,11)4-5/h1-2,5H,3-4H2.
What are the key properties of 2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine?
2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine has a molecular weight of 204.61 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine is sourced from PubChem (CID 150584047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).