tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate

C15H20FNO2 — CID 138970587

IUPACtert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate
SMILESC=C(F)CN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H20FNO2/c1-12(16)10-17(14(18)19-15(2,3)4)11-13-8-6-5-7-9-13/h5-9H,1,10-11H2,2-4H3
InChIKeyXWHXJWAYUGIWIP-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.91
Rot. Bonds4

About tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate

tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate (PubChem CID 138970587) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate
PubChem CID138970587
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nametert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate
SMILESC=C(F)CN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H20FNO2/c1-12(16)10-17(14(18)19-15(2,3)4)11-13-8-6-5-7-9-13/h5-9H,1,10-11H2,2-4H3
InChIKeyXWHXJWAYUGIWIP-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Encyprate
CID 17298
Ethyl benzylcarbamate
CID 75801
Tritert-butyl 11-[[4-[[4,8,11-tris(tert-butoxycarbonyl)-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate
CID 471516
Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
CID 2756043
tert-Butyl Benzylcarbamate
CID 4615331
N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
N-[(2-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446659
N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446782
N-[(4-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446902
Ammonium, benzyltriethyl-, bicarbonate
CID 29687
tert-butyl N-((2-methylphenyl)methyl)carbamate
CID 826765

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate (CID 138970587) is tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate is C=C(F)CN(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate?
The InChIKey is XWHXJWAYUGIWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-12(16)10-17(14(18)19-15(2,3)4)11-13-8-6-5-7-9-13/h5-9H,1,10-11H2,2-4H3.
What are the key properties of tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate?
tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate has a molecular weight of 265.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate is sourced from PubChem (CID 138970587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).