3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride

C7H10ClF3N2 — CID 67593085

IUPAC3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride
SMILESCl.FC(F)(F)CCN1C=NC=CC1
InChIInChI=1S/C7H9F3N2.ClH/c8-7(9,10)2-5-12-4-1-3-11-6-12;/h1,3,6H,2,4-5H2;1H
InChIKeyXINQQOYSCBZQHY-UHFFFAOYSA-N
MW214.62 g/mol
LogP2.22
Rot. Bonds2

About 3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride

3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride (PubChem CID 67593085) has the molecular formula C7H10ClF3N2 and a molecular weight of 214.62 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride
PubChem CID67593085
Molecular FormulaC7H10ClF3N2
Molecular Weight214.62 g/mol
Exact Mass214.05
IUPAC Name3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride
SMILESCl.FC(F)(F)CCN1C=NC=CC1
InChIInChI=1S/C7H9F3N2.ClH/c8-7(9,10)2-5-12-4-1-3-11-6-12;/h1,3,6H,2,4-5H2;1H
InChIKeyXINQQOYSCBZQHY-UHFFFAOYSA-N
XLogP2.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.62
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride?
The IUPAC name of 3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride (CID 67593085) is 3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride.
What is the SMILES notation for 3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride?
The canonical SMILES for 3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride is Cl.FC(F)(F)CCN1C=NC=CC1.
What is the InChIKey of 3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride?
The InChIKey is XINQQOYSCBZQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2.ClH/c8-7(9,10)2-5-12-4-1-3-11-6-12;/h1,3,6H,2,4-5H2;1H.
What are the key properties of 3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride?
3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride has a molecular weight of 214.62 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropyl)-4H-pyrimidine;hydrochloride is sourced from PubChem (CID 67593085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).