2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine

C13H11FN2O — CID 91288033

IUPAC2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine
SMILESC=C(F)Cc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C13H11FN2O/c1-10(14)9-11-3-5-12(6-4-11)17-13-15-7-2-8-16-13/h2-8H,1,9H2
InChIKeyZBWILAOQZTTWOO-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.29
Rot. Bonds4

About 2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine

2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine (PubChem CID 91288033) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine
PubChem CID91288033
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine
SMILESC=C(F)Cc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C13H11FN2O/c1-10(14)9-11-3-5-12(6-4-11)17-13-15-7-2-8-16-13/h2-8H,1,9H2
InChIKeyZBWILAOQZTTWOO-UHFFFAOYSA-N
XLogP3.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol
CID 54511340
2-[4-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 113432159
N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
CID 70703225
2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone
CID 170860743
N-(3-pyrimidin-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 39261092
(2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one
CID 175442955
2-(3-chloro-4-fluorophenoxy)pyrimidine
CID 5045020
2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid
CID 61395505
2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid
CID 71246278
2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine
CID 168591058
2-(4-pyrimidin-2-yloxyphenoxy)propanamide
CID 133330250
2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 47051345

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine?
The IUPAC name of 2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine (CID 91288033) is 2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine.
What is the SMILES notation for 2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine?
The canonical SMILES for 2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine is C=C(F)Cc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine?
The InChIKey is ZBWILAOQZTTWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-10(14)9-11-3-5-12(6-4-11)17-13-15-7-2-8-16-13/h2-8H,1,9H2.
What are the key properties of 2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine?
2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine has a molecular weight of 230.24 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine is sourced from PubChem (CID 91288033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).