5-(difluoromethyl)-2,4,6-trifluoropyrimidine

C5HF5N2 — CID 21434368

IUPAC5-(difluoromethyl)-2,4,6-trifluoropyrimidine
SMILESFc1nc(F)c(C(F)F)c(F)n1
InChIInChI=1S/C5HF5N2/c6-2(7)1-3(8)11-5(10)12-4(1)9/h2H
InChIKeyKSMWCDRMAKHSKP-UHFFFAOYSA-N
MW184.07 g/mol
LogP1.83
Rot. Bonds1

About 5-(difluoromethyl)-2,4,6-trifluoropyrimidine

5-(difluoromethyl)-2,4,6-trifluoropyrimidine (PubChem CID 21434368) has the molecular formula C5HF5N2 and a molecular weight of 184.07 g/mol. Its IUPAC name is 5-(difluoromethyl)-2,4,6-trifluoropyrimidine.

Molecular Properties

Compound Name5-(difluoromethyl)-2,4,6-trifluoropyrimidine
PubChem CID21434368
Molecular FormulaC5HF5N2
Molecular Weight184.07 g/mol
Exact Mass184.01
IUPAC Name5-(difluoromethyl)-2,4,6-trifluoropyrimidine
SMILESFc1nc(F)c(C(F)F)c(F)n1
InChIInChI=1S/C5HF5N2/c6-2(7)1-3(8)11-5(10)12-4(1)9/h2H
InChIKeyKSMWCDRMAKHSKP-UHFFFAOYSA-N
XLogP1.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5,6-Tetrafluoropyrimidine
CID 136605
2,5,6-Trifluoropyrimidin-4-amine
CID 13287430
4,6-Difluoro-5-methylpyrimidine
CID 45080449
4,5,6-Trifluoro-2-methylpyrimidine
CID 58058035
Trifluorochloropyrimidine
CID 21919377
4-Chloro-5-(difluoromethyl)-2,6-difluoropyrimidine
CID 19842656
2,4,6-Trifluoro-5-(trifluoromethyl)pyrimidine
CID 23235412
2,4,6-Trifluoropyrimidine-5-carbonitrile
CID 23235414
2,4,6-Trichloro-5-(difluoromethyl)pyrimidine
CID 129532566
2,4,5-Trifluoro-6-iodopyrimidine
CID 134868330
2,4,6-Trifluoro-5-methylpyrimidine
CID 1713157
4,5,6-Trifluoro-2-(trifluoromethyl)pyrimidine
CID 13389000

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2,4,6-trifluoropyrimidine?
The IUPAC name of 5-(difluoromethyl)-2,4,6-trifluoropyrimidine (CID 21434368) is 5-(difluoromethyl)-2,4,6-trifluoropyrimidine.
What is the SMILES notation for 5-(difluoromethyl)-2,4,6-trifluoropyrimidine?
The canonical SMILES for 5-(difluoromethyl)-2,4,6-trifluoropyrimidine is Fc1nc(F)c(C(F)F)c(F)n1.
What is the InChIKey of 5-(difluoromethyl)-2,4,6-trifluoropyrimidine?
The InChIKey is KSMWCDRMAKHSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF5N2/c6-2(7)1-3(8)11-5(10)12-4(1)9/h2H.
What are the key properties of 5-(difluoromethyl)-2,4,6-trifluoropyrimidine?
5-(difluoromethyl)-2,4,6-trifluoropyrimidine has a molecular weight of 184.07 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2,4,6-trifluoropyrimidine is sourced from PubChem (CID 21434368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).