5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine

C18H11F7N4O — CID 19702795

IUPAC5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine
SMILESFc1ccc(COC(c2cncnc2C(F)(F)F)c2cncnc2C(F)(F)F)cc1
InChIInChI=1S/C18H11F7N4O/c19-11-3-1-10(2-4-11)7-30-14(12-5-26-8-28-15(12)17(20,21)22)13-6-27-9-29-16(13)18(23,24)25/h1-6,8-9,14H,7H2
InChIKeyAQMSKCJBUKXEJA-UHFFFAOYSA-N
MW432.30 g/mol
LogP4.75
Rot. Bonds5

About 5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine

5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine (PubChem CID 19702795) has the molecular formula C18H11F7N4O and a molecular weight of 432.30 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine
PubChem CID19702795
Molecular FormulaC18H11F7N4O
Molecular Weight432.30 g/mol
Exact Mass432.08
IUPAC Name5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine
SMILESFc1ccc(COC(c2cncnc2C(F)(F)F)c2cncnc2C(F)(F)F)cc1
InChIInChI=1S/C18H11F7N4O/c19-11-3-1-10(2-4-11)7-30-14(12-5-26-8-28-15(12)17(20,21)22)13-6-27-9-29-16(13)18(23,24)25/h1-6,8-9,14H,7H2
InChIKeyAQMSKCJBUKXEJA-UHFFFAOYSA-N
XLogP4.75
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.30
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine (CID 19702795) is 5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine is Fc1ccc(COC(c2cncnc2C(F)(F)F)c2cncnc2C(F)(F)F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is AQMSKCJBUKXEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F7N4O/c19-11-3-1-10(2-4-11)7-30-14(12-5-26-8-28-15(12)17(20,21)22)13-6-27-9-29-16(13)18(23,24)25/h1-6,8-9,14H,7H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine?
5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 432.30 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 19702795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).