(4-chloro-3-fluorophenyl)methyl carbamate

C8H7ClFNO2 — CID 150534428

IUPAC(4-chloro-3-fluorophenyl)methyl carbamate
SMILESNC(=O)OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C8H7ClFNO2/c9-6-2-1-5(3-7(6)10)4-13-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKeyIENQHRYNMJYTBB-UHFFFAOYSA-N
MW203.60 g/mol
LogP2.07
Rot. Bonds2

About (4-chloro-3-fluorophenyl)methyl carbamate

(4-chloro-3-fluorophenyl)methyl carbamate (PubChem CID 150534428) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)methyl carbamate.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)methyl carbamate
PubChem CID150534428
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Name(4-chloro-3-fluorophenyl)methyl carbamate
SMILESNC(=O)OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C8H7ClFNO2/c9-6-2-1-5(3-7(6)10)4-13-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKeyIENQHRYNMJYTBB-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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Related Compounds

Benzenemethanol, 4-chloro-, 1-acetate
CID 79407
Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate
CID 12843
1-(2-Chlorophenyl)propyl hydrogen carbonimidate
CID 15534
Trifluoroacetic acid, 4-chlorobenzyl ester
CID 580613
2-Propanol, 1-(p-chlorobenzyloxy)-3-(2-propynyloxy)-, carbamate
CID 213379
(4-Chlorophenyl)methyl chloroformate
CID 13292914
(4-Chlorophenyl)methyl carbamimidate
CID 73353366
1-Chloro-4-(fluoromethoxymethyl)benzene
CID 10954029
4-Chlorobenzyl carbamate
CID 13433129
4-Chlorobenzyl alcohol, pentafluoropropionate
CID 580534
(4-Chlorophenyl)methyl dimethylcarbamate
CID 12963457
[(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate
CID 54762926

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)methyl carbamate?
The IUPAC name of (4-chloro-3-fluorophenyl)methyl carbamate (CID 150534428) is (4-chloro-3-fluorophenyl)methyl carbamate.
What is the SMILES notation for (4-chloro-3-fluorophenyl)methyl carbamate?
The canonical SMILES for (4-chloro-3-fluorophenyl)methyl carbamate is NC(=O)OCc1ccc(Cl)c(F)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)methyl carbamate?
The InChIKey is IENQHRYNMJYTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c9-6-2-1-5(3-7(6)10)4-13-8(11)12/h1-3H,4H2,(H2,11,12).
What are the key properties of (4-chloro-3-fluorophenyl)methyl carbamate?
(4-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 (4-chloro-3-fluorophenyl)methyl carbamate is sourced from PubChem (CID 150534428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).