2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid

C16H15F2NO2 — CID 121483232

IUPAC2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)c1ccc(F)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H15F2NO2/c1-16(2,19-15(20)21)11-5-8-14(18)13(9-11)10-3-6-12(17)7-4-10/h3-9,19H,1-2H3,(H,20,21)
InChIKeyPAOFBVQVTLBWCO-UHFFFAOYSA-N
MW291.30 g/mol
LogP4.13
Rot. Bonds3

About 2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid

2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid (PubChem CID 121483232) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid
PubChem CID121483232
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)c1ccc(F)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H15F2NO2/c1-16(2,19-15(20)21)11-5-8-14(18)13(9-11)10-3-6-12(17)7-4-10/h3-9,19H,1-2H3,(H,20,21)
InChIKeyPAOFBVQVTLBWCO-UHFFFAOYSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid?
The IUPAC name of 2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid (CID 121483232) is 2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid.
What is the SMILES notation for 2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid?
The canonical SMILES for 2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid is CC(C)(NC(=O)O)c1ccc(F)c(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid?
The InChIKey is PAOFBVQVTLBWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-16(2,19-15(20)21)11-5-8-14(18)13(9-11)10-3-6-12(17)7-4-10/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of 2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid?
2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid has a molecular weight of 291.30 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid is sourced from PubChem (CID 121483232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).