fluoro N-benzyl-N-methylcarbamate

C9H10FNO2 — CID 144758254

IUPACfluoro N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OF
InChIInChI=1S/C9H10FNO2/c1-11(9(12)13-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyCBOCOKLSPNUASK-UHFFFAOYSA-N
MW183.18 g/mol
LogP2.14
Rot. Bonds2

About fluoro N-benzyl-N-methylcarbamate

fluoro N-benzyl-N-methylcarbamate (PubChem CID 144758254) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is fluoro N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Namefluoro N-benzyl-N-methylcarbamate
PubChem CID144758254
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Namefluoro N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OF
InChIInChI=1S/C9H10FNO2/c1-11(9(12)13-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyCBOCOKLSPNUASK-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate
CID 65173330
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
(3-oxocyclobutyl) N-benzyl-N-methylcarbamate
CID 176797150
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea
CID 70519358
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 5018753
N-benzyl-2,2,3,3,3-pentafluoro-N-methylpropanamide
CID 91699922
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
[3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate
CID 13371954
benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 118284724
3-amino-1-benzyl-1-methylurea
CID 43163959

Frequently Asked Questions

What is the IUPAC name of fluoro N-benzyl-N-methylcarbamate?
The IUPAC name of fluoro N-benzyl-N-methylcarbamate (CID 144758254) is fluoro N-benzyl-N-methylcarbamate.
What is the SMILES notation for fluoro N-benzyl-N-methylcarbamate?
The canonical SMILES for fluoro N-benzyl-N-methylcarbamate is CN(Cc1ccccc1)C(=O)OF.
What is the InChIKey of fluoro N-benzyl-N-methylcarbamate?
The InChIKey is CBOCOKLSPNUASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-11(9(12)13-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of fluoro N-benzyl-N-methylcarbamate?
fluoro N-benzyl-N-methylcarbamate has a molecular weight of 183.18 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro N-benzyl-N-methylcarbamate is sourced from PubChem (CID 144758254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).