[4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid

C9H8BrF2NO2 — CID 146503348

IUPAC[4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(Br)cc1C(F)F
InChIInChI=1S/C9H8BrF2NO2/c10-6-2-1-5(4-13-9(14)15)7(3-6)8(11)12/h1-3,8,13H,4H2,(H,14,15)
InChIKeyGYQDKZJSFPRDGH-UHFFFAOYSA-N
MW280.07 g/mol
LogP3.15
Rot. Bonds3

About [4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid

[4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid (PubChem CID 146503348) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is [4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid
PubChem CID146503348
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC Name[4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(Br)cc1C(F)F
InChIInChI=1S/C9H8BrF2NO2/c10-6-2-1-5(4-13-9(14)15)7(3-6)8(11)12/h1-3,8,13H,4H2,(H,14,15)
InChIKeyGYQDKZJSFPRDGH-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid?
The IUPAC name of [4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid (CID 146503348) is [4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid.
What is the SMILES notation for [4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid?
The canonical SMILES for [4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid is O=C(O)NCc1ccc(Br)cc1C(F)F.
What is the InChIKey of [4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid?
The InChIKey is GYQDKZJSFPRDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c10-6-2-1-5(4-13-9(14)15)7(3-6)8(11)12/h1-3,8,13H,4H2,(H,14,15).
What are the key properties of [4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid?
[4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid has a molecular weight of 280.07 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(difluoromethyl)phenyl]methylcarbamic acid is sourced from PubChem (CID 146503348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).