chloro-(2,6-difluorobenzoyl)carbamic acid

C8H4ClF2NO3 — CID 57194910

IUPACchloro-(2,6-difluorobenzoyl)carbamic acid
SMILESO=C(O)N(Cl)C(=O)c1c(F)cccc1F
InChIInChI=1S/C8H4ClF2NO3/c9-12(8(14)15)7(13)6-4(10)2-1-3-5(6)11/h1-3H,(H,14,15)
InChIKeyCFTRLDNWKWQQHO-UHFFFAOYSA-N
MW235.57 g/mol
LogP2.24
Rot. Bonds1

About chloro-(2,6-difluorobenzoyl)carbamic acid

chloro-(2,6-difluorobenzoyl)carbamic acid (PubChem CID 57194910) has the molecular formula C8H4ClF2NO3 and a molecular weight of 235.57 g/mol. Its IUPAC name is chloro-(2,6-difluorobenzoyl)carbamic acid.

Molecular Properties

Compound Namechloro-(2,6-difluorobenzoyl)carbamic acid
PubChem CID57194910
Molecular FormulaC8H4ClF2NO3
Molecular Weight235.57 g/mol
Exact Mass234.98
IUPAC Namechloro-(2,6-difluorobenzoyl)carbamic acid
SMILESO=C(O)N(Cl)C(=O)c1c(F)cccc1F
InChIInChI=1S/C8H4ClF2NO3/c9-12(8(14)15)7(13)6-4(10)2-1-3-5(6)11/h1-3H,(H,14,15)
InChIKeyCFTRLDNWKWQQHO-UHFFFAOYSA-N
XLogP2.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.57
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-(2,6-difluorobenzoyl)carbamic acid?
The IUPAC name of chloro-(2,6-difluorobenzoyl)carbamic acid (CID 57194910) is chloro-(2,6-difluorobenzoyl)carbamic acid.
What is the SMILES notation for chloro-(2,6-difluorobenzoyl)carbamic acid?
The canonical SMILES for chloro-(2,6-difluorobenzoyl)carbamic acid is O=C(O)N(Cl)C(=O)c1c(F)cccc1F.
What is the InChIKey of chloro-(2,6-difluorobenzoyl)carbamic acid?
The InChIKey is CFTRLDNWKWQQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2NO3/c9-12(8(14)15)7(13)6-4(10)2-1-3-5(6)11/h1-3H,(H,14,15).
What are the key properties of chloro-(2,6-difluorobenzoyl)carbamic acid?
chloro-(2,6-difluorobenzoyl)carbamic acid has a molecular weight of 235.57 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,6-difluorobenzoyl)carbamic acid is sourced from PubChem (CID 57194910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).