1-(4-fluorophenyl)propan-2-yl N-methylcarbamate

C11H14FNO2 — CID 123868321

IUPAC1-(4-fluorophenyl)propan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-8(15-11(14)13-2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyNCAAUCMGGLWMQU-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.11
Rot. Bonds3

About 1-(4-fluorophenyl)propan-2-yl N-methylcarbamate

1-(4-fluorophenyl)propan-2-yl N-methylcarbamate (PubChem CID 123868321) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-(4-fluorophenyl)propan-2-yl N-methylcarbamate.

Molecular Properties

Compound Name1-(4-fluorophenyl)propan-2-yl N-methylcarbamate
PubChem CID123868321
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name1-(4-fluorophenyl)propan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-8(15-11(14)13-2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyNCAAUCMGGLWMQU-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)propan-2-yl N-methylcarbamate?
The IUPAC name of 1-(4-fluorophenyl)propan-2-yl N-methylcarbamate (CID 123868321) is 1-(4-fluorophenyl)propan-2-yl N-methylcarbamate.
What is the SMILES notation for 1-(4-fluorophenyl)propan-2-yl N-methylcarbamate?
The canonical SMILES for 1-(4-fluorophenyl)propan-2-yl N-methylcarbamate is CNC(=O)OC(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)propan-2-yl N-methylcarbamate?
The InChIKey is NCAAUCMGGLWMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(15-11(14)13-2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 1-(4-fluorophenyl)propan-2-yl N-methylcarbamate?
1-(4-fluorophenyl)propan-2-yl N-methylcarbamate has a molecular weight of 211.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)propan-2-yl N-methylcarbamate is sourced from PubChem (CID 123868321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).