[2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate

C9H5F3N2O3 — CID 175154367

IUPAC[2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate
SMILESN#Cc1cc(F)c(OC(F)F)cc1OC(N)=O
InChIInChI=1S/C9H5F3N2O3/c10-5-1-4(3-13)6(17-9(14)15)2-7(5)16-8(11)12/h1-2,8H,(H2,14,15)
InChIKeyDPUXNXXEEIHILL-UHFFFAOYSA-N
MW246.14 g/mol
LogP1.76
Rot. Bonds3

About [2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate

[2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate (PubChem CID 175154367) has the molecular formula C9H5F3N2O3 and a molecular weight of 246.14 g/mol. Its IUPAC name is [2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate.

Molecular Properties

Compound Name[2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate
PubChem CID175154367
Molecular FormulaC9H5F3N2O3
Molecular Weight246.14 g/mol
Exact Mass246.03
IUPAC Name[2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate
SMILESN#Cc1cc(F)c(OC(F)F)cc1OC(N)=O
InChIInChI=1S/C9H5F3N2O3/c10-5-1-4(3-13)6(17-9(14)15)2-7(5)16-8(11)12/h1-2,8H,(H2,14,15)
InChIKeyDPUXNXXEEIHILL-UHFFFAOYSA-N
XLogP1.76
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(difluoromethoxy)-2,4-difluorophenyl] carbamate
CID 175535923
methyl 2-cyano-5-(difluoromethoxy)-4-fluorobenzoate
CID 134646530
2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile
CID 171002990
ethyl 2-[4-cyano-5-(difluoromethoxy)-2-fluorophenyl]acetate
CID 134653797
ethyl 2-[5-cyano-4-(difluoromethoxy)-2-fluorophenyl]acetate
CID 134653787
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
2-(difluoromethoxy)-4-fluorobenzonitrile
CID 59295388
ethyl 5-cyano-2-(difluoromethoxy)-4-fluorobenzoate
CID 134651468
2-(chloromethyl)-4-cyano-5-(difluoromethoxy)benzoic acid
CID 134619934
ethyl 3-cyano-5-(difluoromethoxy)-4-fluorobenzoate
CID 134651458
5-acetyl-2-amino-3-(difluoromethoxy)benzonitrile
CID 171028297
2-amino-3-cyano-6-(difluoromethoxy)benzoic acid
CID 171022351

Frequently Asked Questions

What is the IUPAC name of [2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate?
The IUPAC name of [2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate (CID 175154367) is [2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate.
What is the SMILES notation for [2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate?
The canonical SMILES for [2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate is N#Cc1cc(F)c(OC(F)F)cc1OC(N)=O.
What is the InChIKey of [2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate?
The InChIKey is DPUXNXXEEIHILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O3/c10-5-1-4(3-13)6(17-9(14)15)2-7(5)16-8(11)12/h1-2,8H,(H2,14,15).
What are the key properties of [2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate?
[2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate has a molecular weight of 246.14 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyano-5-(difluoromethoxy)-4-fluorophenyl] carbamate is sourced from PubChem (CID 175154367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).