2-(1,1-difluoro-2-methylpropoxy)pyrimidine

C8H10F2N2O — CID 57294335

IUPAC2-(1,1-difluoro-2-methylpropoxy)pyrimidine
SMILESCC(C)C(F)(F)Oc1ncccn1
InChIInChI=1S/C8H10F2N2O/c1-6(2)8(9,10)13-7-11-4-3-5-12-7/h3-6H,1-2H3
InChIKeyMNXNJXYXDKOEDR-UHFFFAOYSA-N
MW188.18 g/mol
LogP2.10
Rot. Bonds3

About 2-(1,1-difluoro-2-methylpropoxy)pyrimidine

2-(1,1-difluoro-2-methylpropoxy)pyrimidine (PubChem CID 57294335) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-methylpropoxy)pyrimidine.

Molecular Properties

Compound Name2-(1,1-difluoro-2-methylpropoxy)pyrimidine
PubChem CID57294335
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-(1,1-difluoro-2-methylpropoxy)pyrimidine
SMILESCC(C)C(F)(F)Oc1ncccn1
InChIInChI=1S/C8H10F2N2O/c1-6(2)8(9,10)13-7-11-4-3-5-12-7/h3-6H,1-2H3
InChIKeyMNXNJXYXDKOEDR-UHFFFAOYSA-N
XLogP2.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trifluoromethoxy)pyrimidine
CID 23221705
2-(1,1-difluoroprop-2-ynoxy)pyrimidine
CID 57041713
ethane;2-propan-2-yloxypyrimidine
CID 159788973
2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine
CID 142257997
(3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol
CID 58468891
2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine
CID 68761664
2-[cyclohexyl(difluoro)methoxy]pyrimidine
CID 57024047
2-(1,1-difluoro-2-methylpropyl)pyridine
CID 116841481
N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine
CID 139373371
fluoromethane;2-propan-2-ylpyrimidine
CID 161216719
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
tert-butyl-dimethyl-pyrimidin-2-yloxysilane
CID 90318512

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-methylpropoxy)pyrimidine?
The IUPAC name of 2-(1,1-difluoro-2-methylpropoxy)pyrimidine (CID 57294335) is 2-(1,1-difluoro-2-methylpropoxy)pyrimidine.
What is the SMILES notation for 2-(1,1-difluoro-2-methylpropoxy)pyrimidine?
The canonical SMILES for 2-(1,1-difluoro-2-methylpropoxy)pyrimidine is CC(C)C(F)(F)Oc1ncccn1.
What is the InChIKey of 2-(1,1-difluoro-2-methylpropoxy)pyrimidine?
The InChIKey is MNXNJXYXDKOEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-6(2)8(9,10)13-7-11-4-3-5-12-7/h3-6H,1-2H3.
What are the key properties of 2-(1,1-difluoro-2-methylpropoxy)pyrimidine?
2-(1,1-difluoro-2-methylpropoxy)pyrimidine has a molecular weight of 188.18 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-methylpropoxy)pyrimidine is sourced from PubChem (CID 57294335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).