(2,5-difluorophenyl) N-ethylcarbamate

C9H9F2NO2 — CID 127549988

IUPAC(2,5-difluorophenyl) N-ethylcarbamate
SMILESCCNC(=O)Oc1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO2/c1-2-12-9(13)14-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyWTGBDKBATIOPFP-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.07
Rot. Bonds2

About (2,5-difluorophenyl) N-ethylcarbamate

(2,5-difluorophenyl) N-ethylcarbamate (PubChem CID 127549988) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is (2,5-difluorophenyl) N-ethylcarbamate.

Molecular Properties

Compound Name(2,5-difluorophenyl) N-ethylcarbamate
PubChem CID127549988
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name(2,5-difluorophenyl) N-ethylcarbamate
SMILESCCNC(=O)Oc1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO2/c1-2-12-9(13)14-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyWTGBDKBATIOPFP-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl) N-ethylcarbamate
CID 127543525
(2,3-dimethylphenyl) N-ethylcarbamate
CID 127545689
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
1,4-difluoro-2-prop-1-en-2-yloxybenzene
CID 90191297
(2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate
CID 116819702
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid
CID 82294566
(4-bromo-2-methylphenyl) N-ethylcarbamate
CID 54003233
(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
CID 95973725
1-(2,5-difluorophenoxy)pentan-2-one
CID 63269916
2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid
CID 171396499
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl) N-ethylcarbamate?
The IUPAC name of (2,5-difluorophenyl) N-ethylcarbamate (CID 127549988) is (2,5-difluorophenyl) N-ethylcarbamate.
What is the SMILES notation for (2,5-difluorophenyl) N-ethylcarbamate?
The canonical SMILES for (2,5-difluorophenyl) N-ethylcarbamate is CCNC(=O)Oc1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl) N-ethylcarbamate?
The InChIKey is WTGBDKBATIOPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-2-12-9(13)14-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of (2,5-difluorophenyl) N-ethylcarbamate?
(2,5-difluorophenyl) N-ethylcarbamate has a molecular weight of 201.17 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl) N-ethylcarbamate is sourced from PubChem (CID 127549988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).