5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine

C8H7F3N2 — CID 67952573

IUPAC5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine
SMILESC/C=C/c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C8H7F3N2/c1-2-3-6-4-12-7(13-5-6)8(9,10)11/h2-5H,1H3/b3-2+
InChIKeyOBJBBDAIRZTEJS-NSCUHMNNSA-N
MW188.15 g/mol
LogP2.53
Rot. Bonds1

About 5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine

5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine (PubChem CID 67952573) has the molecular formula C8H7F3N2 and a molecular weight of 188.15 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine
PubChem CID67952573
Molecular FormulaC8H7F3N2
Molecular Weight188.15 g/mol
Exact Mass188.06
IUPAC Name5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine
SMILESC/C=C/c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C8H7F3N2/c1-2-3-6-4-12-7(13-5-6)8(9,10)11/h2-5H,1H3/b3-2+
InChIKeyOBJBBDAIRZTEJS-NSCUHMNNSA-N
XLogP2.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine (CID 67952573) is 5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine is C/C=C/c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is OBJBBDAIRZTEJS-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H7F3N2/c1-2-3-6-4-12-7(13-5-6)8(9,10)11/h2-5H,1H3/b3-2+.
What are the key properties of 5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine?
5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 188.15 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 67952573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).