(3-chloro-5-fluoro-4-methylphenyl) carbamate

C8H7ClFNO2 — CID 175536019

IUPAC(3-chloro-5-fluoro-4-methylphenyl) carbamate
SMILESCc1c(F)cc(OC(N)=O)cc1Cl
InChIInChI=1S/C8H7ClFNO2/c1-4-6(9)2-5(3-7(4)10)13-8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyRQATWHKLZGKABO-UHFFFAOYSA-N
MW203.60 g/mol
LogP2.25
Rot. Bonds1

About (3-chloro-5-fluoro-4-methylphenyl) carbamate

(3-chloro-5-fluoro-4-methylphenyl) carbamate (PubChem CID 175536019) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is (3-chloro-5-fluoro-4-methylphenyl) carbamate.

Molecular Properties

Compound Name(3-chloro-5-fluoro-4-methylphenyl) carbamate
PubChem CID175536019
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Name(3-chloro-5-fluoro-4-methylphenyl) carbamate
SMILESCc1c(F)cc(OC(N)=O)cc1Cl
InChIInChI=1S/C8H7ClFNO2/c1-4-6(9)2-5(3-7(4)10)13-8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyRQATWHKLZGKABO-UHFFFAOYSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluoro-4-methylphenyl) carbamate?
The IUPAC name of (3-chloro-5-fluoro-4-methylphenyl) carbamate (CID 175536019) is (3-chloro-5-fluoro-4-methylphenyl) carbamate.
What is the SMILES notation for (3-chloro-5-fluoro-4-methylphenyl) carbamate?
The canonical SMILES for (3-chloro-5-fluoro-4-methylphenyl) carbamate is Cc1c(F)cc(OC(N)=O)cc1Cl.
What is the InChIKey of (3-chloro-5-fluoro-4-methylphenyl) carbamate?
The InChIKey is RQATWHKLZGKABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c1-4-6(9)2-5(3-7(4)10)13-8(11)12/h2-3H,1H3,(H2,11,12).
What are the key properties of (3-chloro-5-fluoro-4-methylphenyl) carbamate?
(3-chloro-5-fluoro-4-methylphenyl) carbamate has a molecular weight of 203.60 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluoro-4-methylphenyl) carbamate is sourced from PubChem (CID 175536019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).