[2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid

C15H12F4N2O3 — CID 18613492

IUPAC[2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid
SMILESNc1cc(-c2ccccc2F)c(OCC(F)(F)F)cc1NC(=O)O
InChIInChI=1S/C15H12F4N2O3/c16-10-4-2-1-3-8(10)9-5-11(20)12(21-14(22)23)6-13(9)24-7-15(17,18)19/h1-6,21H,7,20H2,(H,22,23)
InChIKeyPBENWPXNYINQFF-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.11
Rot. Bonds4

About [2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid

[2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid (PubChem CID 18613492) has the molecular formula C15H12F4N2O3 and a molecular weight of 344.26 g/mol. Its IUPAC name is [2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid
PubChem CID18613492
Molecular FormulaC15H12F4N2O3
Molecular Weight344.26 g/mol
Exact Mass344.08
IUPAC Name[2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid
SMILESNc1cc(-c2ccccc2F)c(OCC(F)(F)F)cc1NC(=O)O
InChIInChI=1S/C15H12F4N2O3/c16-10-4-2-1-3-8(10)9-5-11(20)12(21-14(22)23)6-13(9)24-7-15(17,18)19/h1-6,21H,7,20H2,(H,22,23)
InChIKeyPBENWPXNYINQFF-UHFFFAOYSA-N
XLogP4.11
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid?
The IUPAC name of [2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid (CID 18613492) is [2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid.
What is the SMILES notation for [2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid?
The canonical SMILES for [2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid is Nc1cc(-c2ccccc2F)c(OCC(F)(F)F)cc1NC(=O)O.
What is the InChIKey of [2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid?
The InChIKey is PBENWPXNYINQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O3/c16-10-4-2-1-3-8(10)9-5-11(20)12(21-14(22)23)6-13(9)24-7-15(17,18)19/h1-6,21H,7,20H2,(H,22,23).
What are the key properties of [2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid?
[2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid has a molecular weight of 344.26 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid is sourced from PubChem (CID 18613492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).