2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine

C8H8ClF3N2 — CID 86682446

IUPAC2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine
SMILESFC(F)(F)CCCc1cnc(Cl)nc1
InChIInChI=1S/C8H8ClF3N2/c9-7-13-4-6(5-14-7)2-1-3-8(10,11)12/h4-5H,1-3H2
InChIKeyJWUQRVZLWADKAB-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.02
Rot. Bonds3

About 2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine

2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine (PubChem CID 86682446) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine
PubChem CID86682446
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine
SMILESFC(F)(F)CCCc1cnc(Cl)nc1
InChIInChI=1S/C8H8ClF3N2/c9-7-13-4-6(5-14-7)2-1-3-8(10,11)12/h4-5H,1-3H2
InChIKeyJWUQRVZLWADKAB-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloro-5-ethylpyrimidine
CID 3572763
5-(Heptafluoropropyl)pyrimidine
CID 119085065
2-Chloro-5-propylpyrimidine
CID 2735784
2-Chloro-5-pentylpyrimidine
CID 16756526
5-Cyclohexylpyrimidin-2-amine
CID 13163993
3-(Pyrimidin-5-yl)propan-1-amine
CID 15703007
2-Chloro-5-decylpyrimidine
CID 22099083
5-Butyl-2-pyrimidinamine
CID 45071698
5-Cyclopropylpyrimidin-2-amine
CID 45080433
2-Chloro-5-cyclopropylpyrimidine
CID 46864087
2-Bromo-5-cyclopropylpyrimidine
CID 66520099
2-Chloro-5-cyclopropylpyrimidin-4-amine
CID 89155427

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine?
The IUPAC name of 2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine (CID 86682446) is 2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine?
The canonical SMILES for 2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine is FC(F)(F)CCCc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine?
The InChIKey is JWUQRVZLWADKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c9-7-13-4-6(5-14-7)2-1-3-8(10,11)12/h4-5H,1-3H2.
What are the key properties of 2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine?
2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine has a molecular weight of 224.61 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4,4,4-trifluorobutyl)pyrimidine is sourced from PubChem (CID 86682446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).