tert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate

C16H22FNO2 — CID 162403051

IUPACtert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate
SMILESC=CC[C@H](Cc1ccc(F)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H22FNO2/c1-5-6-14(18-15(19)20-16(2,3)4)11-12-7-9-13(17)10-8-12/h5,7-10,14H,1,6,11H2,2-4H3,(H,18,19)/t14-/m1/s1
InChIKeyJLXNPAMTBTZSJO-CQSZACIVSA-N
MW279.36 g/mol
LogP3.84
Rot. Bonds5

About tert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate

tert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate (PubChem CID 162403051) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate
PubChem CID162403051
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Nametert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate
SMILESC=CC[C@H](Cc1ccc(F)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H22FNO2/c1-5-6-14(18-15(19)20-16(2,3)4)11-12-7-9-13(17)10-8-12/h5,7-10,14H,1,6,11H2,2-4H3,(H,18,19)/t14-/m1/s1
InChIKeyJLXNPAMTBTZSJO-CQSZACIVSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate (CID 162403051) is tert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate is C=CC[C@H](Cc1ccc(F)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate?
The InChIKey is JLXNPAMTBTZSJO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-5-6-14(18-15(19)20-16(2,3)4)11-12-7-9-13(17)10-8-12/h5,7-10,14H,1,6,11H2,2-4H3,(H,18,19)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate?
tert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate has a molecular weight of 279.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(4-fluorophenyl)pent-4-en-2-yl]carbamate is sourced from PubChem (CID 162403051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).