benzyl N-(3-fluorophenyl)carbamate

C14H12FNO2 — CID 895321

IUPACbenzyl N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)OCc1ccccc1
InChIInChI=1S/C14H12FNO2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17)
InChIKeyLHLKGCMCFFJNCS-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.57
Rot. Bonds3

About benzyl N-(3-fluorophenyl)carbamate

benzyl N-(3-fluorophenyl)carbamate (PubChem CID 895321) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is benzyl N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-fluorophenyl)carbamate
PubChem CID895321
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Namebenzyl N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)OCc1ccccc1
InChIInChI=1S/C14H12FNO2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17)
InChIKeyLHLKGCMCFFJNCS-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-fluorophenyl)carbamate?
The IUPAC name of benzyl N-(3-fluorophenyl)carbamate (CID 895321) is benzyl N-(3-fluorophenyl)carbamate.
What is the SMILES notation for benzyl N-(3-fluorophenyl)carbamate?
The canonical SMILES for benzyl N-(3-fluorophenyl)carbamate is O=C(Nc1cccc(F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-fluorophenyl)carbamate?
The InChIKey is LHLKGCMCFFJNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17).
What are the key properties of benzyl N-(3-fluorophenyl)carbamate?
benzyl N-(3-fluorophenyl)carbamate has a molecular weight of 245.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 895321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).