4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine

C10H10F5N3 — CID 166602956

IUPAC4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESFC(F)C1CCN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C10H10F5N3/c11-9(12)6-1-2-18(4-6)8-3-7(10(13,14)15)16-5-17-8/h3,5-6,9H,1-2,4H2
InChIKeyLBQCUYVIBABLGD-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.59
Rot. Bonds2

About 4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine

4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 166602956) has the molecular formula C10H10F5N3 and a molecular weight of 267.20 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID166602956
Molecular FormulaC10H10F5N3
Molecular Weight267.20 g/mol
Exact Mass267.08
IUPAC Name4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESFC(F)C1CCN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C10H10F5N3/c11-9(12)6-1-2-18(4-6)8-3-7(10(13,14)15)16-5-17-8/h3,5-6,9H,1-2,4H2
InChIKeyLBQCUYVIBABLGD-UHFFFAOYSA-N
XLogP2.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine (CID 166602956) is 4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine is FC(F)C1CCN(c2cc(C(F)(F)F)ncn2)C1.
What is the InChIKey of 4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is LBQCUYVIBABLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N3/c11-9(12)6-1-2-18(4-6)8-3-7(10(13,14)15)16-5-17-8/h3,5-6,9H,1-2,4H2.
What are the key properties of 4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine?
4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 267.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 166602956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).