2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine

C10H11F3N2O2 — CID 142257997

IUPAC2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine
SMILESCOC(Oc1ncccn1)(C1CC1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-16-9(7-3-4-7,10(11,12)13)17-8-14-5-2-6-15-8/h2,5-7H,3-4H2,1H3
InChIKeyHSWUGIBKHPPPIO-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.17
Rot. Bonds4

About 2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine

2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine (PubChem CID 142257997) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine.

Molecular Properties

Compound Name2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine
PubChem CID142257997
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine
SMILESCOC(Oc1ncccn1)(C1CC1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-16-9(7-3-4-7,10(11,12)13)17-8-14-5-2-6-15-8/h2,5-7H,3-4H2,1H3
InChIKeyHSWUGIBKHPPPIO-UHFFFAOYSA-N
XLogP2.17
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,2,2-Trifluoroethoxy)pyrimidine
CID 20162082
Pyrimidine, 2-butoxy-
CID 19373012
Pyrimidine, 2-isobutoxy-
CID 23388567
t-Butoxypyrimidine
CID 54339704
2-[(3,3-Difluorocyclobutyl)methoxy]pyrimidine
CID 126953832
2-[Difluoro(methoxy)methoxy]pyrimidine
CID 57008288
2-(2-Cyclopropyl-1,1-difluoroethoxy)pyrimidine
CID 57029933
2-(1,1-Difluoro-2-methylpropoxy)pyrimidine
CID 57294335
2-[1-(Difluoromethoxy)ethoxy]pyrimidine
CID 66959662
2-[1-(Fluoromethoxy)ethoxy]pyrimidine
CID 67031691
2-(1,1,2-Trifluoroethoxy)pyrimidine
CID 67592882
2-(1,2,2-Trifluoroethoxy)pyrimidine
CID 67592886

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine?
The IUPAC name of 2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine (CID 142257997) is 2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine.
What is the SMILES notation for 2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine?
The canonical SMILES for 2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine is COC(Oc1ncccn1)(C1CC1)C(F)(F)F.
What is the InChIKey of 2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine?
The InChIKey is HSWUGIBKHPPPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-16-9(7-3-4-7,10(11,12)13)17-8-14-5-2-6-15-8/h2,5-7H,3-4H2,1H3.
What are the key properties of 2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine?
2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine has a molecular weight of 248.20 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-2,2,2-trifluoro-1-methoxyethoxy)pyrimidine is sourced from PubChem (CID 142257997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).