[5-(difluoromethoxy)-2,4-difluorophenyl] carbamate

C8H5F4NO3 — CID 175535923

IUPAC[5-(difluoromethoxy)-2,4-difluorophenyl] carbamate
SMILESNC(=O)Oc1cc(OC(F)F)c(F)cc1F
InChIInChI=1S/C8H5F4NO3/c9-3-1-4(10)6(16-8(13)14)2-5(3)15-7(11)12/h1-2,7H,(H2,13,14)
InChIKeyOPOIFPBEHQFOJR-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.02
Rot. Bonds3

About [5-(difluoromethoxy)-2,4-difluorophenyl] carbamate

[5-(difluoromethoxy)-2,4-difluorophenyl] carbamate (PubChem CID 175535923) has the molecular formula C8H5F4NO3 and a molecular weight of 239.12 g/mol. Its IUPAC name is [5-(difluoromethoxy)-2,4-difluorophenyl] carbamate.

Molecular Properties

Compound Name[5-(difluoromethoxy)-2,4-difluorophenyl] carbamate
PubChem CID175535923
Molecular FormulaC8H5F4NO3
Molecular Weight239.12 g/mol
Exact Mass239.02
IUPAC Name[5-(difluoromethoxy)-2,4-difluorophenyl] carbamate
SMILESNC(=O)Oc1cc(OC(F)F)c(F)cc1F
InChIInChI=1S/C8H5F4NO3/c9-3-1-4(10)6(16-8(13)14)2-5(3)15-7(11)12/h1-2,7H,(H2,13,14)
InChIKeyOPOIFPBEHQFOJR-UHFFFAOYSA-N
XLogP2.02
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(difluoromethoxy)-2,4-difluorophenyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate
CID 175154367
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
4-(difluoromethoxy)-5-fluoro-2-methylbenzoic acid
CID 131290844
2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid
CID 171031868
[3-chloro-5-(difluoromethoxy)phenyl] carbamate
CID 174190375
(2-fluoro-5-propan-2-ylphenyl) carbamate
CID 175535945
2-bromo-4-(difluoromethoxy)-5-fluoroaniline
CID 131289039
2-(chloromethyl)-5-(difluoromethoxy)-4-fluorobenzoic acid
CID 171021997
1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171031809
4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid
CID 121228470
ethyl 2-(chloromethyl)-5-(difluoromethoxy)-4-fluorobenzoate
CID 171018380
1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone
CID 131295418

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethoxy)-2,4-difluorophenyl] carbamate?
The IUPAC name of [5-(difluoromethoxy)-2,4-difluorophenyl] carbamate (CID 175535923) is [5-(difluoromethoxy)-2,4-difluorophenyl] carbamate.
What is the SMILES notation for [5-(difluoromethoxy)-2,4-difluorophenyl] carbamate?
The canonical SMILES for [5-(difluoromethoxy)-2,4-difluorophenyl] carbamate is NC(=O)Oc1cc(OC(F)F)c(F)cc1F.
What is the InChIKey of [5-(difluoromethoxy)-2,4-difluorophenyl] carbamate?
The InChIKey is OPOIFPBEHQFOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO3/c9-3-1-4(10)6(16-8(13)14)2-5(3)15-7(11)12/h1-2,7H,(H2,13,14).
What are the key properties of [5-(difluoromethoxy)-2,4-difluorophenyl] carbamate?
[5-(difluoromethoxy)-2,4-difluorophenyl] carbamate has a molecular weight of 239.12 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethoxy)-2,4-difluorophenyl] carbamate is sourced from PubChem (CID 175535923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).