5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine

C13H11FN2 — CID 173227202

IUPAC5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine
SMILESC/C(F)=C/c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C13H11FN2/c1-10(14)6-11-2-4-12(5-3-11)13-7-15-9-16-8-13/h2-9H,1H3/b10-6-
InChIKeyMPYNGTNMEQJRTC-POHAHGRESA-N
MW214.24 g/mol
LogP3.47
Rot. Bonds2

About 5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine

5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine (PubChem CID 173227202) has the molecular formula C13H11FN2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine
PubChem CID173227202
Molecular FormulaC13H11FN2
Molecular Weight214.24 g/mol
Exact Mass214.09
IUPAC Name5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine
SMILESC/C(F)=C/c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C13H11FN2/c1-10(14)6-11-2-4-12(5-3-11)13-7-15-9-16-8-13/h2-9H,1H3/b10-6-
InChIKeyMPYNGTNMEQJRTC-POHAHGRESA-N
XLogP3.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine?
The IUPAC name of 5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine (CID 173227202) is 5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine.
What is the SMILES notation for 5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine?
The canonical SMILES for 5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine is C/C(F)=C/c1ccc(-c2cncnc2)cc1.
What is the InChIKey of 5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine?
The InChIKey is MPYNGTNMEQJRTC-POHAHGRESA-N. The full InChI is InChI=1S/C13H11FN2/c1-10(14)6-11-2-4-12(5-3-11)13-7-15-9-16-8-13/h2-9H,1H3/b10-6-.
What are the key properties of 5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine?
5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine has a molecular weight of 214.24 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]pyrimidine is sourced from PubChem (CID 173227202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).