tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate

C16H22FNO2 — CID 102278751

IUPACtert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate
SMILESC=CC(F)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H22FNO2/c1-5-13(17)14(11-12-9-7-6-8-10-12)18-15(19)20-16(2,3)4/h5-10,13-14H,1,11H2,2-4H3,(H,18,19)/t13?,14-/m0/s1
InChIKeyQFYICDHIOQGIOM-KZUDCZAMSA-N
MW279.36 g/mol
LogP3.65
Rot. Bonds5

About tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate

tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate (PubChem CID 102278751) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate
PubChem CID102278751
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Nametert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate
SMILESC=CC(F)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H22FNO2/c1-5-13(17)14(11-12-9-7-6-8-10-12)18-15(19)20-16(2,3)4/h5-10,13-14H,1,11H2,2-4H3,(H,18,19)/t13?,14-/m0/s1
InChIKeyQFYICDHIOQGIOM-KZUDCZAMSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2S)-3-fluoro-1-phenylpent-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

Related Compounds

methyl (E,5S)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-2-enoate
CID 134926015
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-[(2S,3R)-1-phenyl-3-[(2,2,2-trichloroacetyl)amino]pent-4-en-2-yl]carbamate
CID 14931010
tert-butyl N-[(2S)-3-hydroxy-4-methyl-1-phenylpent-4-en-2-yl]carbamate
CID 11150475
(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 170895505
1-O-[(2R,4R)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-3-yl] 5-O-prop-2-enyl (2R,4R)-2,4-dibenzyl-3-hydroxypentanedioate
CID 12983261
tert-butyl N-[(1S)-1-cyano-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 90203735
tert-butyl N-[(2S,3S)-3-hydroxy-4-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]sulfanyl-1-phenylbutan-2-yl]carbamate
CID 15454052
tert-butyl N-[(2S)-2,3-dideuterio-1-phenylbut-3-en-2-yl]carbamate
CID 123841009
tert-butyl N-[(2S,3R)-3-hydroxy-6-methyl-5-methylidene-1-phenylheptan-2-yl]carbamate
CID 10404599
tert-butyl N-[(2S,3S)-1-hydroxy-3-phenylmethoxypent-4-en-2-yl]carbamate
CID 130647619
tert-butyl N-[(2S,3R)-3-hydroxy-4-[methyl(prop-2-enyl)amino]-1-phenylbutan-2-yl]carbamate;ethane
CID 91162775

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate (CID 102278751) is tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate is C=CC(F)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate?
The InChIKey is QFYICDHIOQGIOM-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-5-13(17)14(11-12-9-7-6-8-10-12)18-15(19)20-16(2,3)4/h5-10,13-14H,1,11H2,2-4H3,(H,18,19)/t13?,14-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate?
tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate has a molecular weight of 279.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate is sourced from PubChem (CID 102278751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).