[2-(chloromethyl)-4,5-difluorophenyl] carbamate

C8H6ClF2NO2 — CID 151695437

IUPAC[2-(chloromethyl)-4,5-difluorophenyl] carbamate
SMILESNC(=O)Oc1cc(F)c(F)cc1CCl
InChIInChI=1S/C8H6ClF2NO2/c9-3-4-1-5(10)6(11)2-7(4)14-8(12)13/h1-2H,3H2,(H2,12,13)
InChIKeyRDLJYPALYRMXCR-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.16
Rot. Bonds2

About [2-(chloromethyl)-4,5-difluorophenyl] carbamate

[2-(chloromethyl)-4,5-difluorophenyl] carbamate (PubChem CID 151695437) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is [2-(chloromethyl)-4,5-difluorophenyl] carbamate.

Molecular Properties

Compound Name[2-(chloromethyl)-4,5-difluorophenyl] carbamate
PubChem CID151695437
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name[2-(chloromethyl)-4,5-difluorophenyl] carbamate
SMILESNC(=O)Oc1cc(F)c(F)cc1CCl
InChIInChI=1S/C8H6ClF2NO2/c9-3-4-1-5(10)6(11)2-7(4)14-8(12)13/h1-2H,3H2,(H2,12,13)
InChIKeyRDLJYPALYRMXCR-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(chloromethyl)-4,5-difluorophenyl]acetate
CID 171019400
[2-(2-bromoethyl)-5-fluorophenyl] carbamate
CID 174456451
[2-(bromomethyl)-4-fluorophenyl] carbamate
CID 152652489
(5-amino-2-chloro-3-fluorophenyl) carbamate
CID 150779474
(2,3-difluorophenyl) carbamate
CID 154511519
[3-(2-bromoethyl)-2-fluorophenyl] carbamate
CID 174593765
ethyl 2-[2-(chloromethyl)-4-fluoro-5-methoxyphenyl]acetate
CID 171019465
[2-(2-chloroethyl)-4-iodophenyl] carbamate
CID 90304048
[4-chloro-2-(chloromethyl)phenyl] acetate
CID 13254480
4-(chloromethyl)-3-fluorobenzoic acid
CID 91883061
(2-benzyl-4-fluorophenyl) carbamate
CID 150789163
2-(chloromethyl)-5-(difluoromethoxy)-4-fluorobenzoic acid
CID 171021997

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-4,5-difluorophenyl] carbamate?
The IUPAC name of [2-(chloromethyl)-4,5-difluorophenyl] carbamate (CID 151695437) is [2-(chloromethyl)-4,5-difluorophenyl] carbamate.
What is the SMILES notation for [2-(chloromethyl)-4,5-difluorophenyl] carbamate?
The canonical SMILES for [2-(chloromethyl)-4,5-difluorophenyl] carbamate is NC(=O)Oc1cc(F)c(F)cc1CCl.
What is the InChIKey of [2-(chloromethyl)-4,5-difluorophenyl] carbamate?
The InChIKey is RDLJYPALYRMXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c9-3-4-1-5(10)6(11)2-7(4)14-8(12)13/h1-2H,3H2,(H2,12,13).
What are the key properties of [2-(chloromethyl)-4,5-difluorophenyl] carbamate?
[2-(chloromethyl)-4,5-difluorophenyl] carbamate has a molecular weight of 221.59 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-4,5-difluorophenyl] carbamate is sourced from PubChem (CID 151695437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).