(4-bromo-2-fluorophenyl)methyl-methylcarbamic acid

C9H9BrFNO2 — CID 67224629

IUPAC(4-bromo-2-fluorophenyl)methyl-methylcarbamic acid
SMILESCN(Cc1ccc(Br)cc1F)C(=O)O
InChIInChI=1S/C9H9BrFNO2/c1-12(9(13)14)5-6-2-3-7(10)4-8(6)11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyHTEPPNIIDHMDTP-UHFFFAOYSA-N
MW262.08 g/mol
LogP2.70
Rot. Bonds2

About (4-bromo-2-fluorophenyl)methyl-methylcarbamic acid

(4-bromo-2-fluorophenyl)methyl-methylcarbamic acid (PubChem CID 67224629) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)methyl-methylcarbamic acid.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)methyl-methylcarbamic acid
PubChem CID67224629
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name(4-bromo-2-fluorophenyl)methyl-methylcarbamic acid
SMILESCN(Cc1ccc(Br)cc1F)C(=O)O
InChIInChI=1S/C9H9BrFNO2/c1-12(9(13)14)5-6-2-3-7(10)4-8(6)11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyHTEPPNIIDHMDTP-UHFFFAOYSA-N
XLogP2.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)methyl-methylcarbamic acid?
The IUPAC name of (4-bromo-2-fluorophenyl)methyl-methylcarbamic acid (CID 67224629) is (4-bromo-2-fluorophenyl)methyl-methylcarbamic acid.
What is the SMILES notation for (4-bromo-2-fluorophenyl)methyl-methylcarbamic acid?
The canonical SMILES for (4-bromo-2-fluorophenyl)methyl-methylcarbamic acid is CN(Cc1ccc(Br)cc1F)C(=O)O.
What is the InChIKey of (4-bromo-2-fluorophenyl)methyl-methylcarbamic acid?
The InChIKey is HTEPPNIIDHMDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-12(9(13)14)5-6-2-3-7(10)4-8(6)11/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of (4-bromo-2-fluorophenyl)methyl-methylcarbamic acid?
(4-bromo-2-fluorophenyl)methyl-methylcarbamic acid has a molecular weight of 262.08 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)methyl-methylcarbamic acid is sourced from PubChem (CID 67224629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).