4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine

C8H8ClF2N3 — CID 86617114

IUPAC4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine
SMILESFC1(F)CCN(c2cc(Cl)ncn2)C1
InChIInChI=1S/C8H8ClF2N3/c9-6-3-7(13-5-12-6)14-2-1-8(10,11)4-14/h3,5H,1-2,4H2
InChIKeyKJWHMPQUGYQFFV-UHFFFAOYSA-N
MW219.62 g/mol
LogP1.98
Rot. Bonds1

About 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine

4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine (PubChem CID 86617114) has the molecular formula C8H8ClF2N3 and a molecular weight of 219.62 g/mol. Its IUPAC name is 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine
PubChem CID86617114
Molecular FormulaC8H8ClF2N3
Molecular Weight219.62 g/mol
Exact Mass219.04
IUPAC Name4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine
SMILESFC1(F)CCN(c2cc(Cl)ncn2)C1
InChIInChI=1S/C8H8ClF2N3/c9-6-3-7(13-5-12-6)14-2-1-8(10,11)4-14/h3,5H,1-2,4H2
InChIKeyKJWHMPQUGYQFFV-UHFFFAOYSA-N
XLogP1.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine (CID 86617114) is 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine is FC1(F)CCN(c2cc(Cl)ncn2)C1.
What is the InChIKey of 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine?
The InChIKey is KJWHMPQUGYQFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N3/c9-6-3-7(13-5-12-6)14-2-1-8(10,11)4-14/h3,5H,1-2,4H2.
What are the key properties of 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine?
4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine has a molecular weight of 219.62 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 86617114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).