[4-(difluoromethoxy)phenyl] N-methylcarbamate

C9H9F2NO3 — CID 165349276

IUPAC[4-(difluoromethoxy)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(OC(F)F)cc1
InChIInChI=1S/C9H9F2NO3/c1-12-9(13)15-7-4-2-6(3-5-7)14-8(10)11/h2-5,8H,1H3,(H,12,13)
InChIKeyLFSJJQNXRUVYFO-UHFFFAOYSA-N
MW217.17 g/mol
LogP2.01
Rot. Bonds3

About [4-(difluoromethoxy)phenyl] N-methylcarbamate

[4-(difluoromethoxy)phenyl] N-methylcarbamate (PubChem CID 165349276) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl] N-methylcarbamate
PubChem CID165349276
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name[4-(difluoromethoxy)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(OC(F)F)cc1
InChIInChI=1S/C9H9F2NO3/c1-12-9(13)15-7-4-2-6(3-5-7)14-8(10)11/h2-5,8H,1H3,(H,12,13)
InChIKeyLFSJJQNXRUVYFO-UHFFFAOYSA-N
XLogP2.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium
CID 6332717
[2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7569623
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
2-[4-(difluoromethoxy)anilino]-2-methylpropanoic acid
CID 114992858
[4-(carbamoylamino)phenyl] N-methylcarbamate
CID 134123032
4-[4-(difluoromethoxy)anilino]-N-methylbutanamide
CID 63892048
N'-[4-(difluoromethoxy)phenyl]acetohydrazide
CID 174866017
methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate
CID 93311120
(E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid
CID 153337052
(2S)-3-[4-(difluoromethoxy)phenyl]-2-(methylamino)propanoic acid
CID 146563114
[4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride
CID 138400728
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl] N-methylcarbamate?
The IUPAC name of [4-(difluoromethoxy)phenyl] N-methylcarbamate (CID 165349276) is [4-(difluoromethoxy)phenyl] N-methylcarbamate.
What is the SMILES notation for [4-(difluoromethoxy)phenyl] N-methylcarbamate?
The canonical SMILES for [4-(difluoromethoxy)phenyl] N-methylcarbamate is CNC(=O)Oc1ccc(OC(F)F)cc1.
What is the InChIKey of [4-(difluoromethoxy)phenyl] N-methylcarbamate?
The InChIKey is LFSJJQNXRUVYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-12-9(13)15-7-4-2-6(3-5-7)14-8(10)11/h2-5,8H,1H3,(H,12,13).
What are the key properties of [4-(difluoromethoxy)phenyl] N-methylcarbamate?
[4-(difluoromethoxy)phenyl] N-methylcarbamate has a molecular weight of 217.17 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl] N-methylcarbamate is sourced from PubChem (CID 165349276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).