phenyl N-(2,6-difluorophenyl)carbamate

C13H9F2NO2 — CID 60631299

IUPACphenyl N-(2,6-difluorophenyl)carbamate
SMILESO=C(Nc1c(F)cccc1F)Oc1ccccc1
InChIInChI=1S/C13H9F2NO2/c14-10-7-4-8-11(15)12(10)16-13(17)18-9-5-2-1-3-6-9/h1-8H,(H,16,17)
InChIKeyYQXWVDUIZUZQSH-UHFFFAOYSA-N
MW249.22 g/mol
LogP3.58
Rot. Bonds2

About phenyl N-(2,6-difluorophenyl)carbamate

phenyl N-(2,6-difluorophenyl)carbamate (PubChem CID 60631299) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is phenyl N-(2,6-difluorophenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2,6-difluorophenyl)carbamate
PubChem CID60631299
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Namephenyl N-(2,6-difluorophenyl)carbamate
SMILESO=C(Nc1c(F)cccc1F)Oc1ccccc1
InChIInChI=1S/C13H9F2NO2/c14-10-7-4-8-11(15)12(10)16-13(17)18-9-5-2-1-3-6-9/h1-8H,(H,16,17)
InChIKeyYQXWVDUIZUZQSH-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isopropyl N-(4-methoxyphenyl)carbamate
CID 186315
Phenyl N-(4-chlorophenyl)carbamate
CID 186645
(3-bromophenyl) N-phenylcarbamate
CID 786347
p-Methyoxyphenol carbanilate
CID 29508
Ethyl (4-phenoxyphenyl)carbamate
CID 898756
Phenyl 4-nitrophenylcarbamate
CID 11322856
Phenyl N-(P-anisyl)carbamate
CID 230348
Methyl N-(4-methoxyphenyl)carbamate
CID 519003
4-Fluorophenyl methyl(phenyl)carbamate
CID 2929031
2-phenoxyethyl N-phenylcarbamate
CID 346767
Phenyl [4-(dimethylamino)phenyl]carbamate
CID 895662
4-Ethylphenyl phenylcarbamate
CID 2834241

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2,6-difluorophenyl)carbamate?
The IUPAC name of phenyl N-(2,6-difluorophenyl)carbamate (CID 60631299) is phenyl N-(2,6-difluorophenyl)carbamate.
What is the SMILES notation for phenyl N-(2,6-difluorophenyl)carbamate?
The canonical SMILES for phenyl N-(2,6-difluorophenyl)carbamate is O=C(Nc1c(F)cccc1F)Oc1ccccc1.
What is the InChIKey of phenyl N-(2,6-difluorophenyl)carbamate?
The InChIKey is YQXWVDUIZUZQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c14-10-7-4-8-11(15)12(10)16-13(17)18-9-5-2-1-3-6-9/h1-8H,(H,16,17).
What are the key properties of phenyl N-(2,6-difluorophenyl)carbamate?
phenyl N-(2,6-difluorophenyl)carbamate has a molecular weight of 249.22 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2,6-difluorophenyl)carbamate is sourced from PubChem (CID 60631299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).