[3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid

C14H9F4NO2 — CID 71129201

IUPAC[3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid
SMILESO=C(O)N(c1ccccc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H9F4NO2/c15-10-6-9(14(16,17)18)7-12(8-10)19(13(20)21)11-4-2-1-3-5-11/h1-8H,(H,20,21)
InChIKeyWDYDBBFIHOPNKR-UHFFFAOYSA-N
MW299.22 g/mol
LogP4.66
Rot. Bonds2

About [3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid

[3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid (PubChem CID 71129201) has the molecular formula C14H9F4NO2 and a molecular weight of 299.22 g/mol. Its IUPAC name is [3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid.

Molecular Properties

Compound Name[3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid
PubChem CID71129201
Molecular FormulaC14H9F4NO2
Molecular Weight299.22 g/mol
Exact Mass299.06
IUPAC Name[3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid
SMILESO=C(O)N(c1ccccc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H9F4NO2/c15-10-6-9(14(16,17)18)7-12(8-10)19(13(20)21)11-4-2-1-3-5-11/h1-8H,(H,20,21)
InChIKeyWDYDBBFIHOPNKR-UHFFFAOYSA-N
XLogP4.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid?
The IUPAC name of [3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid (CID 71129201) is [3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid.
What is the SMILES notation for [3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid?
The canonical SMILES for [3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid is O=C(O)N(c1ccccc1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of [3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid?
The InChIKey is WDYDBBFIHOPNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO2/c15-10-6-9(14(16,17)18)7-12(8-10)19(13(20)21)11-4-2-1-3-5-11/h1-8H,(H,20,21).
What are the key properties of [3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid?
[3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid has a molecular weight of 299.22 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid is sourced from PubChem (CID 71129201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).