1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea

C15H9F5N6O — CID 11853647

IUPAC1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1ccc(F)cc1-c1nn[nH]n1
InChIInChI=1S/C15H9F5N6O/c16-7-1-4-12(9(5-7)13-23-25-26-24-13)22-14(27)21-8-2-3-11(17)10(6-8)15(18,19)20/h1-6H,(H2,21,22,27)(H,23,24,25,26)
InChIKeyFXDCXHOYGRKRNW-UHFFFAOYSA-N
MW384.27 g/mol
LogP3.81
Rot. Bonds3

About 1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea

1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea (PubChem CID 11853647) has the molecular formula C15H9F5N6O and a molecular weight of 384.27 g/mol. Its IUPAC name is 1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
PubChem CID11853647
Molecular FormulaC15H9F5N6O
Molecular Weight384.27 g/mol
Exact Mass384.08
IUPAC Name1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1ccc(F)cc1-c1nn[nH]n1
InChIInChI=1S/C15H9F5N6O/c16-7-1-4-12(9(5-7)13-23-25-26-24-13)22-14(27)21-8-2-3-11(17)10(6-8)15(18,19)20/h1-6H,(H2,21,22,27)(H,23,24,25,26)
InChIKeyFXDCXHOYGRKRNW-UHFFFAOYSA-N
XLogP3.81
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea (CID 11853647) is 1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1ccc(F)cc1-c1nn[nH]n1.
What is the InChIKey of 1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The InChIKey is FXDCXHOYGRKRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N6O/c16-7-1-4-12(9(5-7)13-23-25-26-24-13)22-14(27)21-8-2-3-11(17)10(6-8)15(18,19)20/h1-6H,(H2,21,22,27)(H,23,24,25,26).
What are the key properties of 1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea has a molecular weight of 384.27 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 11853647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).