2-(1,1-difluoroprop-2-ynoxy)pyrimidine

C7H4F2N2O — CID 57041713

IUPAC2-(1,1-difluoroprop-2-ynoxy)pyrimidine
SMILESC#CC(F)(F)Oc1ncccn1
InChIInChI=1S/C7H4F2N2O/c1-2-7(8,9)12-6-10-4-3-5-11-6/h1,3-5H
InChIKeyLWXAUCKYTNDGQB-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.08
Rot. Bonds2

About 2-(1,1-difluoroprop-2-ynoxy)pyrimidine

2-(1,1-difluoroprop-2-ynoxy)pyrimidine (PubChem CID 57041713) has the molecular formula C7H4F2N2O and a molecular weight of 170.12 g/mol. Its IUPAC name is 2-(1,1-difluoroprop-2-ynoxy)pyrimidine.

Molecular Properties

Compound Name2-(1,1-difluoroprop-2-ynoxy)pyrimidine
PubChem CID57041713
Molecular FormulaC7H4F2N2O
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name2-(1,1-difluoroprop-2-ynoxy)pyrimidine
SMILESC#CC(F)(F)Oc1ncccn1
InChIInChI=1S/C7H4F2N2O/c1-2-7(8,9)12-6-10-4-3-5-11-6/h1,3-5H
InChIKeyLWXAUCKYTNDGQB-UHFFFAOYSA-N
XLogP1.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(trifluoromethoxy)pyrimidine
CID 23221705
2-(1,1-difluoro-2-methylpropoxy)pyrimidine
CID 57294335
2-[cyclohexyl(difluoro)methoxy]pyrimidine
CID 57024047
2-sulfanyloxypyrimidine
CID 19387748
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
CID 68630973
2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine
CID 142257997
2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine
CID 175613693
2-(2-pyrimidin-2-yloxyethoxy)pyrimidine
CID 172699862
2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558807
2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine
CID 172690256
2-[bromo(difluoro)methoxy]pyridine
CID 66668027
3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine
CID 15162607

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroprop-2-ynoxy)pyrimidine?
The IUPAC name of 2-(1,1-difluoroprop-2-ynoxy)pyrimidine (CID 57041713) is 2-(1,1-difluoroprop-2-ynoxy)pyrimidine.
What is the SMILES notation for 2-(1,1-difluoroprop-2-ynoxy)pyrimidine?
The canonical SMILES for 2-(1,1-difluoroprop-2-ynoxy)pyrimidine is C#CC(F)(F)Oc1ncccn1.
What is the InChIKey of 2-(1,1-difluoroprop-2-ynoxy)pyrimidine?
The InChIKey is LWXAUCKYTNDGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O/c1-2-7(8,9)12-6-10-4-3-5-11-6/h1,3-5H.
What are the key properties of 2-(1,1-difluoroprop-2-ynoxy)pyrimidine?
2-(1,1-difluoroprop-2-ynoxy)pyrimidine has a molecular weight of 170.12 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroprop-2-ynoxy)pyrimidine is sourced from PubChem (CID 57041713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).