5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine

C7H3F7N2 — CID 119085065

IUPAC5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine
SMILESFC(F)(F)C(F)(F)C(F)(F)c1cncnc1
InChIInChI=1S/C7H3F7N2/c8-5(9,4-1-15-3-16-2-4)6(10,11)7(12,13)14/h1-3H
InChIKeyPWMNZECJWQPLCK-UHFFFAOYSA-N
MW248.10 g/mol
LogP2.77
Rot. Bonds2

About 5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine

5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine (PubChem CID 119085065) has the molecular formula C7H3F7N2 and a molecular weight of 248.10 g/mol. Its IUPAC name is 5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine.

Molecular Properties

Compound Name5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine
PubChem CID119085065
Molecular FormulaC7H3F7N2
Molecular Weight248.10 g/mol
Exact Mass248.02
IUPAC Name5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine
SMILESFC(F)(F)C(F)(F)C(F)(F)c1cncnc1
InChIInChI=1S/C7H3F7N2/c8-5(9,4-1-15-3-16-2-4)6(10,11)7(12,13)14/h1-3H
InChIKeyPWMNZECJWQPLCK-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 45080433
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CID 66520099
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CID 122235941
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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine?
The IUPAC name of 5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine (CID 119085065) is 5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine.
What is the SMILES notation for 5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine?
The canonical SMILES for 5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine is FC(F)(F)C(F)(F)C(F)(F)c1cncnc1.
What is the InChIKey of 5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine?
The InChIKey is PWMNZECJWQPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F7N2/c8-5(9,4-1-15-3-16-2-4)6(10,11)7(12,13)14/h1-3H.
What are the key properties of 5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine?
5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine has a molecular weight of 248.10 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine is sourced from PubChem (CID 119085065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).