[2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate

C12H10F2N2O3 — CID 175410754

IUPAC[2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate
SMILESN#Cc1ccc(OCC(=CF)COC(N)=O)c(F)c1
InChIInChI=1S/C12H10F2N2O3/c13-4-9(7-19-12(16)17)6-18-11-2-1-8(5-15)3-10(11)14/h1-4H,6-7H2,(H2,16,17)
InChIKeyXDVPGXZPSHOWAV-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.02
Rot. Bonds5

About [2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate

[2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate (PubChem CID 175410754) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is [2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate.

Molecular Properties

Compound Name[2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate
PubChem CID175410754
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name[2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate
SMILESN#Cc1ccc(OCC(=CF)COC(N)=O)c(F)c1
InChIInChI=1S/C12H10F2N2O3/c13-4-9(7-19-12(16)17)6-18-11-2-1-8(5-15)3-10(11)14/h1-4H,6-7H2,(H2,16,17)
InChIKeyXDVPGXZPSHOWAV-UHFFFAOYSA-N
XLogP2.02
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-2-[(4-cyano-3-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate
CID 175410716
3-fluoro-4-(2,2,2-trifluoroethoxy)benzonitrile
CID 14774191
3-fluoro-4-(2-methylprop-2-enoxy)benzonitrile
CID 103793496
3-fluoro-4-[2-(4-methylphenyl)-2-oxoethoxy]benzonitrile
CID 103793465
4-(2-cyclohexyl-2-oxoethoxy)-3-fluorobenzonitrile
CID 103793502
ethyl 4-(4-cyano-2-fluorophenoxy)-2,2-dimethyl-3-oxobutanoate
CID 107666565
2-(4-cyano-2-fluorophenoxy)-N-(2-fluorophenyl)acetamide
CID 103793510
4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile
CID 103793495
3-fluoro-4-(5-oxohexoxy)benzonitrile
CID 104891719
N-(2-chlorophenyl)-2-(4-cyano-2-fluorophenoxy)acetamide
CID 103792209
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
CID 103792210
4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile
CID 103793506

Frequently Asked Questions

What is the IUPAC name of [2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate?
The IUPAC name of [2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate (CID 175410754) is [2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate.
What is the SMILES notation for [2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate?
The canonical SMILES for [2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate is N#Cc1ccc(OCC(=CF)COC(N)=O)c(F)c1.
What is the InChIKey of [2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate?
The InChIKey is XDVPGXZPSHOWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c13-4-9(7-19-12(16)17)6-18-11-2-1-8(5-15)3-10(11)14/h1-4H,6-7H2,(H2,16,17).
What are the key properties of [2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate?
[2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate has a molecular weight of 268.22 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-cyano-2-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate is sourced from PubChem (CID 175410754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).