(3-bromo-4-fluorophenyl)methylcarbamic acid

C8H7BrFNO2 — CID 66588879

IUPAC(3-bromo-4-fluorophenyl)methylcarbamic acid
SMILESO=C(O)NCc1ccc(F)c(Br)c1
InChIInChI=1S/C8H7BrFNO2/c9-6-3-5(1-2-7(6)10)4-11-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyRFTGAYBDYSEJBH-UHFFFAOYSA-N
MW248.05 g/mol
LogP2.36
Rot. Bonds2

About (3-bromo-4-fluorophenyl)methylcarbamic acid

(3-bromo-4-fluorophenyl)methylcarbamic acid (PubChem CID 66588879) has the molecular formula C8H7BrFNO2 and a molecular weight of 248.05 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)methylcarbamic acid.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)methylcarbamic acid
PubChem CID66588879
Molecular FormulaC8H7BrFNO2
Molecular Weight248.05 g/mol
Exact Mass246.96
IUPAC Name(3-bromo-4-fluorophenyl)methylcarbamic acid
SMILESO=C(O)NCc1ccc(F)c(Br)c1
InChIInChI=1S/C8H7BrFNO2/c9-6-3-5(1-2-7(6)10)4-11-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyRFTGAYBDYSEJBH-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)methylcarbamic acid?
The IUPAC name of (3-bromo-4-fluorophenyl)methylcarbamic acid (CID 66588879) is (3-bromo-4-fluorophenyl)methylcarbamic acid.
What is the SMILES notation for (3-bromo-4-fluorophenyl)methylcarbamic acid?
The canonical SMILES for (3-bromo-4-fluorophenyl)methylcarbamic acid is O=C(O)NCc1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)methylcarbamic acid?
The InChIKey is RFTGAYBDYSEJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO2/c9-6-3-5(1-2-7(6)10)4-11-8(12)13/h1-3,11H,4H2,(H,12,13).
What are the key properties of (3-bromo-4-fluorophenyl)methylcarbamic acid?
(3-bromo-4-fluorophenyl)methylcarbamic acid has a molecular weight of 248.05 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)methylcarbamic acid is sourced from PubChem (CID 66588879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).