2,4,6-trifluoropyrimidine-5-carbonitrile

C5F3N3 — CID 23235414

IUPAC2,4,6-trifluoropyrimidine-5-carbonitrile
SMILESN#Cc1c(F)nc(F)nc1F
InChIInChI=1S/C5F3N3/c6-3-2(1-9)4(7)11-5(8)10-3
InChIKeyJOYWMWSTASJQHZ-UHFFFAOYSA-N
MW159.07 g/mol
LogP0.77
Rot. Bonds

About 2,4,6-trifluoropyrimidine-5-carbonitrile

2,4,6-trifluoropyrimidine-5-carbonitrile (PubChem CID 23235414) has the molecular formula C5F3N3 and a molecular weight of 159.07 g/mol. Its IUPAC name is 2,4,6-trifluoropyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4,6-trifluoropyrimidine-5-carbonitrile
PubChem CID23235414
Molecular FormulaC5F3N3
Molecular Weight159.07 g/mol
Exact Mass159.00
IUPAC Name2,4,6-trifluoropyrimidine-5-carbonitrile
SMILESN#Cc1c(F)nc(F)nc1F
InChIInChI=1S/C5F3N3/c6-3-2(1-9)4(7)11-5(8)10-3
InChIKeyJOYWMWSTASJQHZ-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.07
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5,6-Tetrafluoropyrimidine
CID 136605
2,5,6-Trifluoropyrimidin-4-amine
CID 13287430
4,6-Difluoropyrimidine-5-carbonitrile
CID 18981198
Trifluorochloropyrimidine
CID 21919377
2,4,6-Triaminopyrimidine-5-carbonitrile
CID 46835388
5-(Difluoromethyl)-2,4,6-trifluoropyrimidine
CID 21434368
2,4,6-Trifluoro-5-(trifluoromethyl)pyrimidine
CID 23235412
2,4,5-Trifluoro-6-iodopyrimidine
CID 134868330
2,4,6-Triazidopyrimidine-5-carbonitrile
CID 139599916
2,4,6-Trifluoro-5-methylpyrimidine
CID 1713157
4,6-Difluoro-5-(trifluoromethyl)pyrimidin-2-amine
CID 20403027
2,6-Difluoro-5-(trifluoromethyl)pyrimidin-4-amine
CID 20403031

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoropyrimidine-5-carbonitrile?
The IUPAC name of 2,4,6-trifluoropyrimidine-5-carbonitrile (CID 23235414) is 2,4,6-trifluoropyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4,6-trifluoropyrimidine-5-carbonitrile?
The canonical SMILES for 2,4,6-trifluoropyrimidine-5-carbonitrile is N#Cc1c(F)nc(F)nc1F.
What is the InChIKey of 2,4,6-trifluoropyrimidine-5-carbonitrile?
The InChIKey is JOYWMWSTASJQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F3N3/c6-3-2(1-9)4(7)11-5(8)10-3.
What are the key properties of 2,4,6-trifluoropyrimidine-5-carbonitrile?
2,4,6-trifluoropyrimidine-5-carbonitrile has a molecular weight of 159.07 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoropyrimidine-5-carbonitrile is sourced from PubChem (CID 23235414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).