2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine

C7H6F2N2S — CID 11095352

IUPAC2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine
SMILESFC(F)=CCSc1ncccn1
InChIInChI=1S/C7H6F2N2S/c8-6(9)2-5-12-7-10-3-1-4-11-7/h1-4H,5H2
InChIKeyURRMLEPOPFAKIJ-UHFFFAOYSA-N
MW188.20 g/mol
LogP2.35
Rot. Bonds3

About 2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine

2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine (PubChem CID 11095352) has the molecular formula C7H6F2N2S and a molecular weight of 188.20 g/mol. Its IUPAC name is 2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine
PubChem CID11095352
Molecular FormulaC7H6F2N2S
Molecular Weight188.20 g/mol
Exact Mass188.02
IUPAC Name2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine
SMILESFC(F)=CCSc1ncccn1
InChIInChI=1S/C7H6F2N2S/c8-6(9)2-5-12-7-10-3-1-4-11-7/h1-4H,5H2
InChIKeyURRMLEPOPFAKIJ-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine
CID 9260
(Pyrimidin-2-ylthio)acetic acid
CID 581022
2-Fluoropyrimidine
CID 141643
2,4-Difluoropyrimidine
CID 137716
4-(Methylsulfanyl)pyrimidin-2-amine
CID 238736
2-(Methylthio)pyrimidin-4-amine
CID 259225
2-(Methylsulfanyl)pyrimidine
CID 522772
4-(Pyrimidin-2-yl)thiomorpholine
CID 868189
4-Iodo-2-(methylthio)pyrimidine
CID 3858901
2-(Ethylsulfanyl)pyrimidine
CID 12764701
2-(Methylsulphonyl)pyrimidine
CID 13289225
2-(Trifluoromethyl)pyrimidine
CID 14007756

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine?
The IUPAC name of 2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine (CID 11095352) is 2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine.
What is the SMILES notation for 2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine?
The canonical SMILES for 2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine is FC(F)=CCSc1ncccn1.
What is the InChIKey of 2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine?
The InChIKey is URRMLEPOPFAKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2S/c8-6(9)2-5-12-7-10-3-1-4-11-7/h1-4H,5H2.
What are the key properties of 2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine?
2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine has a molecular weight of 188.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroprop-2-enylsulfanyl)pyrimidine is sourced from PubChem (CID 11095352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).