methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate

C9H9ClFNO2 — CID 175755626

IUPACmethyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(Cl)c(C)c1F
InChIInChI=1S/C9H9ClFNO2/c1-5-6(10)3-4-7(8(5)11)12-9(13)14-2/h3-4H,1-2H3,(H,12,13)
InChIKeyRBSFFIHGJXGWHV-UHFFFAOYSA-N
MW217.63 g/mol
LogP2.97
Rot. Bonds1

About methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate

methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate (PubChem CID 175755626) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate
PubChem CID175755626
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Namemethyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(Cl)c(C)c1F
InChIInChI=1S/C9H9ClFNO2/c1-5-6(10)3-4-7(8(5)11)12-9(13)14-2/h3-4H,1-2H3,(H,12,13)
InChIKeyRBSFFIHGJXGWHV-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl N-(4-chloro-2-methylphenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate?
The IUPAC name of methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate (CID 175755626) is methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate.
What is the SMILES notation for methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate?
The canonical SMILES for methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate is COC(=O)Nc1ccc(Cl)c(C)c1F.
What is the InChIKey of methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate?
The InChIKey is RBSFFIHGJXGWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-5-6(10)3-4-7(8(5)11)12-9(13)14-2/h3-4H,1-2H3,(H,12,13).
What are the key properties of methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate?
methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate has a molecular weight of 217.63 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate is sourced from PubChem (CID 175755626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).