(2-chloro-3-fluorophenyl)methyl carbamate

C8H7ClFNO2 — CID 176962170

IUPAC(2-chloro-3-fluorophenyl)methyl carbamate
SMILESNC(=O)OCc1cccc(F)c1Cl
InChIInChI=1S/C8H7ClFNO2/c9-7-5(4-13-8(11)12)2-1-3-6(7)10/h1-3H,4H2,(H2,11,12)
InChIKeyRFSKWIGYDHXCFJ-UHFFFAOYSA-N
MW203.60 g/mol
LogP2.07
Rot. Bonds2

About (2-chloro-3-fluorophenyl)methyl carbamate

(2-chloro-3-fluorophenyl)methyl carbamate (PubChem CID 176962170) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)methyl carbamate.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)methyl carbamate
PubChem CID176962170
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Name(2-chloro-3-fluorophenyl)methyl carbamate
SMILESNC(=O)OCc1cccc(F)c1Cl
InChIInChI=1S/C8H7ClFNO2/c9-7-5(4-13-8(11)12)2-1-3-6(7)10/h1-3H,4H2,(H2,11,12)
InChIKeyRFSKWIGYDHXCFJ-UHFFFAOYSA-N
XLogP2.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)methyl carbamate?
The IUPAC name of (2-chloro-3-fluorophenyl)methyl carbamate (CID 176962170) is (2-chloro-3-fluorophenyl)methyl carbamate.
What is the SMILES notation for (2-chloro-3-fluorophenyl)methyl carbamate?
The canonical SMILES for (2-chloro-3-fluorophenyl)methyl carbamate is NC(=O)OCc1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)methyl carbamate?
The InChIKey is RFSKWIGYDHXCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c9-7-5(4-13-8(11)12)2-1-3-6(7)10/h1-3H,4H2,(H2,11,12).
What are the key properties of (2-chloro-3-fluorophenyl)methyl carbamate?
(2-chloro-3-fluorophenyl)methyl carbamate has a molecular weight of 203.60 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)methyl carbamate is sourced from PubChem (CID 176962170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).