5-(3,3-difluorobut-1-enyl)pyrimidine

C8H8F2N2 — CID 174902658

IUPAC5-(3,3-difluorobut-1-enyl)pyrimidine
SMILESCC(F)(F)C=Cc1cncnc1
InChIInChI=1S/C8H8F2N2/c1-8(9,10)3-2-7-4-11-6-12-5-7/h2-6H,1H3
InChIKeySXGOECZCCBKVMS-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.14
Rot. Bonds2

About 5-(3,3-difluorobut-1-enyl)pyrimidine

5-(3,3-difluorobut-1-enyl)pyrimidine (PubChem CID 174902658) has the molecular formula C8H8F2N2 and a molecular weight of 170.16 g/mol. Its IUPAC name is 5-(3,3-difluorobut-1-enyl)pyrimidine.

Molecular Properties

Compound Name5-(3,3-difluorobut-1-enyl)pyrimidine
PubChem CID174902658
Molecular FormulaC8H8F2N2
Molecular Weight170.16 g/mol
Exact Mass170.07
IUPAC Name5-(3,3-difluorobut-1-enyl)pyrimidine
SMILESCC(F)(F)C=Cc1cncnc1
InChIInChI=1S/C8H8F2N2/c1-8(9,10)3-2-7-4-11-6-12-5-7/h2-6H,1H3
InChIKeySXGOECZCCBKVMS-UHFFFAOYSA-N
XLogP2.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluorobut-1-enyl)pyrimidine?
The IUPAC name of 5-(3,3-difluorobut-1-enyl)pyrimidine (CID 174902658) is 5-(3,3-difluorobut-1-enyl)pyrimidine.
What is the SMILES notation for 5-(3,3-difluorobut-1-enyl)pyrimidine?
The canonical SMILES for 5-(3,3-difluorobut-1-enyl)pyrimidine is CC(F)(F)C=Cc1cncnc1.
What is the InChIKey of 5-(3,3-difluorobut-1-enyl)pyrimidine?
The InChIKey is SXGOECZCCBKVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2/c1-8(9,10)3-2-7-4-11-6-12-5-7/h2-6H,1H3.
What are the key properties of 5-(3,3-difluorobut-1-enyl)pyrimidine?
5-(3,3-difluorobut-1-enyl)pyrimidine has a molecular weight of 170.16 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluorobut-1-enyl)pyrimidine is sourced from PubChem (CID 174902658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).