(3-fluorophenyl) N,N-diethylcarbamate

C11H14FNO2 — CID 15531138

IUPAC(3-fluorophenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-3-13(4-2)11(14)15-10-7-5-6-9(12)8-10/h5-8H,3-4H2,1-2H3
InChIKeyJHISYNVCHBCMCS-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.67
Rot. Bonds3

About (3-fluorophenyl) N,N-diethylcarbamate

(3-fluorophenyl) N,N-diethylcarbamate (PubChem CID 15531138) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (3-fluorophenyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(3-fluorophenyl) N,N-diethylcarbamate
PubChem CID15531138
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(3-fluorophenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-3-13(4-2)11(14)15-10-7-5-6-9(12)8-10/h5-8H,3-4H2,1-2H3
InChIKeyJHISYNVCHBCMCS-UHFFFAOYSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl Methylcarbamate
CID 16034
Phenyl N,N-dimethylcarbamate
CID 138885
1-Pyrrolidinecarboxylic acid, phenyl ester
CID 94574
Phenyl morpholine-4-carboxylate
CID 318911
Phenyl 1-piperidinecarboxylate
CID 283449
4-Methoxyphenyl 4-morpholinecarboxylate
CID 738841
4-Fluorophenyl morpholine-4-carboxylate
CID 2929568
1,4-Phenylene bis(diethylcarbamate)
CID 3764428
Phenyl 4-methylpiperidine-1-carboxylate
CID 755382
Carbamic acid, dimethyl-, p-phenylene ester (2:1)
CID 44939
Carbamic acid, N-methyl-N-nitroso-, phenyl ester
CID 50199
Carbamic acid, dimethyl-, p-methoxyphenyl ester
CID 138982

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl) N,N-diethylcarbamate?
The IUPAC name of (3-fluorophenyl) N,N-diethylcarbamate (CID 15531138) is (3-fluorophenyl) N,N-diethylcarbamate.
What is the SMILES notation for (3-fluorophenyl) N,N-diethylcarbamate?
The canonical SMILES for (3-fluorophenyl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl) N,N-diethylcarbamate?
The InChIKey is JHISYNVCHBCMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-3-13(4-2)11(14)15-10-7-5-6-9(12)8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of (3-fluorophenyl) N,N-diethylcarbamate?
(3-fluorophenyl) N,N-diethylcarbamate has a molecular weight of 211.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl) N,N-diethylcarbamate is sourced from PubChem (CID 15531138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).