(3-chloro-2,6-difluoro-4-methylphenyl) carbamate

C8H6ClF2NO2 — CID 175536071

IUPAC(3-chloro-2,6-difluoro-4-methylphenyl) carbamate
SMILESCc1cc(F)c(OC(N)=O)c(F)c1Cl
InChIInChI=1S/C8H6ClF2NO2/c1-3-2-4(10)7(14-8(12)13)6(11)5(3)9/h2H,1H3,(H2,12,13)
InChIKeyHLKAVCPOMWCHMQ-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.38
Rot. Bonds1

About (3-chloro-2,6-difluoro-4-methylphenyl) carbamate

(3-chloro-2,6-difluoro-4-methylphenyl) carbamate (PubChem CID 175536071) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is (3-chloro-2,6-difluoro-4-methylphenyl) carbamate.

Molecular Properties

Compound Name(3-chloro-2,6-difluoro-4-methylphenyl) carbamate
PubChem CID175536071
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name(3-chloro-2,6-difluoro-4-methylphenyl) carbamate
SMILESCc1cc(F)c(OC(N)=O)c(F)c1Cl
InChIInChI=1S/C8H6ClF2NO2/c1-3-2-4(10)7(14-8(12)13)6(11)5(3)9/h2H,1H3,(H2,12,13)
InChIKeyHLKAVCPOMWCHMQ-UHFFFAOYSA-N
XLogP2.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (3-chloro-2,6-difluoro-4-methylphenyl) carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,6-difluoro-4-methylphenyl) carbamate?
The IUPAC name of (3-chloro-2,6-difluoro-4-methylphenyl) carbamate (CID 175536071) is (3-chloro-2,6-difluoro-4-methylphenyl) carbamate.
What is the SMILES notation for (3-chloro-2,6-difluoro-4-methylphenyl) carbamate?
The canonical SMILES for (3-chloro-2,6-difluoro-4-methylphenyl) carbamate is Cc1cc(F)c(OC(N)=O)c(F)c1Cl.
What is the InChIKey of (3-chloro-2,6-difluoro-4-methylphenyl) carbamate?
The InChIKey is HLKAVCPOMWCHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-3-2-4(10)7(14-8(12)13)6(11)5(3)9/h2H,1H3,(H2,12,13).
What are the key properties of (3-chloro-2,6-difluoro-4-methylphenyl) carbamate?
(3-chloro-2,6-difluoro-4-methylphenyl) carbamate has a molecular weight of 221.59 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,6-difluoro-4-methylphenyl) carbamate is sourced from PubChem (CID 175536071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).