[4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid

C10H10BrF2NO2 — CID 159543729

IUPAC[4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(Br)cc1CC(F)F
InChIInChI=1S/C10H10BrF2NO2/c11-8-2-1-6(5-14-10(15)16)7(3-8)4-9(12)13/h1-3,9,14H,4-5H2,(H,15,16)
InChIKeyMENODMXDFXYOME-UHFFFAOYSA-N
MW294.10 g/mol
LogP3.02
Rot. Bonds4

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

[4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid (PubChem CID 159543729) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is [4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid
PubChem CID159543729
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Name[4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(Br)cc1CC(F)F
InChIInChI=1S/C10H10BrF2NO2/c11-8-2-1-6(5-14-10(15)16)7(3-8)4-9(12)13/h1-3,9,14H,4-5H2,(H,15,16)
InChIKeyMENODMXDFXYOME-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-bromo-4-fluorobenzene;[5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid
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(2,4-difluorophenyl)methylcarbamic acid
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N-[(2,4-dibromophenyl)methyl]benzamide
CID 175587612
N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide
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N-[(5-bromo-2-methylphenyl)methyl]-3-oxobutanamide
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1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid?
The IUPAC name of [4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid (CID 159543729) is [4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid.
What is the SMILES notation for [4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid?
The canonical SMILES for [4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid is O=C(O)NCc1ccc(Br)cc1CC(F)F.
What is the InChIKey of [4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid?
The InChIKey is MENODMXDFXYOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c11-8-2-1-6(5-14-10(15)16)7(3-8)4-9(12)13/h1-3,9,14H,4-5H2,(H,15,16).
What are the key properties of [4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid?
[4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid has a molecular weight of 294.10 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid is sourced from PubChem (CID 159543729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).