(4-fluorophenyl)methyl N-methylcarbamate

C9H10FNO2 — CID 20688827

IUPAC(4-fluorophenyl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc(F)cc1
InChIInChI=1S/C9H10FNO2/c1-11-9(12)13-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H,11,12)
InChIKeyYNTUQNWLWJYJFB-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.68
Rot. Bonds2

About (4-fluorophenyl)methyl N-methylcarbamate

(4-fluorophenyl)methyl N-methylcarbamate (PubChem CID 20688827) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-methylcarbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-methylcarbamate
PubChem CID20688827
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(4-fluorophenyl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc(F)cc1
InChIInChI=1S/C9H10FNO2/c1-11-9(12)13-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H,11,12)
InChIKeyYNTUQNWLWJYJFB-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl hydroxycarbamate
CID 18907
Benzyl Cyanomethylcarbamate
CID 244143
Benzyl (2-oxopropyl)carbamate
CID 22747857
Benzyl carbamate
CID 12136
benzyl N-(2-hydroxyethyl)carbamate
CID 280458
[[N-(Benzyloxycarbonyl)Amino]Methyl]Phosphate
CID 1950
N-((Phenylmethoxy)carbonyl)glycine ethyl ester
CID 14366
benzyl N-(2-bromoethyl)carbamate
CID 278694
benzyl N-methylcarbamate
CID 562265
benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate
CID 10262499
({[(Benzyloxy)carbonyl]amino}methyl)(methyl)phosphinic acid
CID 13101397
Methyl 3-([(benzyloxy)carbonyl]amino)propanoate
CID 376763

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-methylcarbamate?
The IUPAC name of (4-fluorophenyl)methyl N-methylcarbamate (CID 20688827) is (4-fluorophenyl)methyl N-methylcarbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-methylcarbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-methylcarbamate is CNC(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl N-methylcarbamate?
The InChIKey is YNTUQNWLWJYJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-11-9(12)13-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of (4-fluorophenyl)methyl N-methylcarbamate?
(4-fluorophenyl)methyl N-methylcarbamate has a molecular weight of 183.18 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-methylcarbamate is sourced from PubChem (CID 20688827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).