1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride

C7H10ClF3N2 — CID 67593083

IUPAC1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride
SMILESCC(F)C(F)(F)N1C=CC=NC1.Cl
InChIInChI=1S/C7H9F3N2.ClH/c1-6(8)7(9,10)12-4-2-3-11-5-12;/h2-4,6H,5H2,1H3;1H
InChIKeyVQCNDNXZTYCETF-UHFFFAOYSA-N
MW214.62 g/mol
LogP2.22
Rot. Bonds2

About 1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride

1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride (PubChem CID 67593083) has the molecular formula C7H10ClF3N2 and a molecular weight of 214.62 g/mol. Its IUPAC name is 1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride.

Molecular Properties

Compound Name1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride
PubChem CID67593083
Molecular FormulaC7H10ClF3N2
Molecular Weight214.62 g/mol
Exact Mass214.05
IUPAC Name1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride
SMILESCC(F)C(F)(F)N1C=CC=NC1.Cl
InChIInChI=1S/C7H9F3N2.ClH/c1-6(8)7(9,10)12-4-2-3-11-5-12;/h2-4,6H,5H2,1H3;1H
InChIKeyVQCNDNXZTYCETF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride?
The IUPAC name of 1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride (CID 67593083) is 1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride.
What is the SMILES notation for 1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride?
The canonical SMILES for 1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride is CC(F)C(F)(F)N1C=CC=NC1.Cl.
What is the InChIKey of 1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride?
The InChIKey is VQCNDNXZTYCETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2.ClH/c1-6(8)7(9,10)12-4-2-3-11-5-12;/h2-4,6H,5H2,1H3;1H.
What are the key properties of 1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride?
1-(1,1,2-trifluoropropyl)-2H-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 1-(1,1,2-trifluoropropyl)-2H-pyrimidine;hydrochloride is sourced from PubChem (CID 67593083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).