[5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid

C14H11F2NO2 — CID 68847967

IUPAC[5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1cc(F)ccc1-c1ccc(F)cc1
InChIInChI=1S/C14H11F2NO2/c15-11-3-1-9(2-4-11)13-6-5-12(16)7-10(13)8-17-14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyOYCGOKKBTCHBKF-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.40
Rot. Bonds3

About [5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid

[5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid (PubChem CID 68847967) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is [5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid
PubChem CID68847967
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name[5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1cc(F)ccc1-c1ccc(F)cc1
InChIInChI=1S/C14H11F2NO2/c15-11-3-1-9(2-4-11)13-6-5-12(16)7-10(13)8-17-14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyOYCGOKKBTCHBKF-UHFFFAOYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid?
The IUPAC name of [5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid (CID 68847967) is [5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid.
What is the SMILES notation for [5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid?
The canonical SMILES for [5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid is O=C(O)NCc1cc(F)ccc1-c1ccc(F)cc1.
What is the InChIKey of [5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid?
The InChIKey is OYCGOKKBTCHBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-11-3-1-9(2-4-11)13-6-5-12(16)7-10(13)8-17-14(18)19/h1-7,17H,8H2,(H,18,19).
What are the key properties of [5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid?
[5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid has a molecular weight of 263.24 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid is sourced from PubChem (CID 68847967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).