[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid

C8H5BrF3NO3 — CID 23139549

IUPAC[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C8H5BrF3NO3/c9-5-3-4(13-7(14)15)1-2-6(5)16-8(10,11)12/h1-3,13H,(H,14,15)
InChIKeyQQXGCWRMPKHDRE-UHFFFAOYSA-N
MW300.03 g/mol
LogP3.44
Rot. Bonds2

About [3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid

[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid (PubChem CID 23139549) has the molecular formula C8H5BrF3NO3 and a molecular weight of 300.03 g/mol. Its IUPAC name is [3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid.

Molecular Properties

Compound Name[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
PubChem CID23139549
Molecular FormulaC8H5BrF3NO3
Molecular Weight300.03 g/mol
Exact Mass298.94
IUPAC Name[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C8H5BrF3NO3/c9-5-3-4(13-7(14)15)1-2-6(5)16-8(10,11)12/h1-3,13H,(H,14,15)
InChIKeyQQXGCWRMPKHDRE-UHFFFAOYSA-N
XLogP3.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.03
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-methylprop-2-enamide
CID 175097026
(E)-4-[3-bromo-4-(trifluoromethoxy)anilino]-4-oxobut-2-enoic acid
CID 107335805
3-[[3-bromo-4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 107336642
N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
CID 107336439
N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide
CID 107336561
4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide
CID 107336495
[3-bromo-4-(trifluoromethoxy)phenyl]hydrazine
CID 118818953
N-[3-bromo-4-(trifluoromethoxy)phenyl]-1-carbamothioylcyclopropane-1-carboxamide
CID 107336533
N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
CID 107336437
(Z)-4-[3-bromo-4-(trifluoromethoxy)anilino]-2-methylbut-2-enoic acid
CID 107336587
4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide
CID 107336426
5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide
CID 107336414

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid?
The IUPAC name of [3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid (CID 23139549) is [3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid.
What is the SMILES notation for [3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid?
The canonical SMILES for [3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid is O=C(O)Nc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of [3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid?
The InChIKey is QQXGCWRMPKHDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO3/c9-5-3-4(13-7(14)15)1-2-6(5)16-8(10,11)12/h1-3,13H,(H,14,15).
What are the key properties of [3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid?
[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid has a molecular weight of 300.03 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid is sourced from PubChem (CID 23139549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).