tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate

C15H20FNO2 — CID 170489856

IUPACtert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c1-15(2,3)19-14(18)17-10-5-4-7-12-8-6-9-13(16)11-12/h4,6-9,11H,5,10H2,1-3H3,(H,17,18)
InChIKeyFVMOYHZLQBTWNE-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.75
Rot. Bonds4

About tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate

tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate (PubChem CID 170489856) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate
PubChem CID170489856
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nametert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c1-15(2,3)19-14(18)17-10-5-4-7-12-8-6-9-13(16)11-12/h4,6-9,11H,5,10H2,1-3H3,(H,17,18)
InChIKeyFVMOYHZLQBTWNE-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[3-(hydroxymethyl)phenyl]but-3-enyl]carbamate
CID 170490056
tert-butyl N-[4-(3-anilinophenyl)but-3-enyl]carbamate
CID 170491415
tert-butyl N-[4-[3-(ethylaminomethyl)phenyl]but-3-enyl]carbamate
CID 170490850
tert-butyl N-[4-(3-chloro-4-fluorophenyl)but-3-enyl]carbamate
CID 170490014
tert-butyl N-[4-(4-fluoro-3-methoxyphenyl)but-3-enyl]carbamate
CID 170490332
tert-butyl N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170490954
tert-butyl N-[4-(2,6-difluoro-4-pyridinyl)but-3-enyl]carbamate
CID 170491540
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]phenyl]pent-4-enoic acid
CID 123282523
tert-butyl N-[4-(2,6-dihydroxyphenyl)but-3-enyl]carbamate
CID 170490025
2-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzoic acid
CID 170490735
tert-butyl N-[4-(3-chloro-4-hydroxyphenyl)but-3-enyl]carbamate
CID 170490032
tert-butyl N-[4-(3-amino-4-methoxyphenyl)but-3-enyl]carbamate
CID 170490557

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate (CID 170489856) is tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate is CC(C)(C)OC(=O)NCCC=Cc1cccc(F)c1.
What is the InChIKey of tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate?
The InChIKey is FVMOYHZLQBTWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-15(2,3)19-14(18)17-10-5-4-7-12-8-6-9-13(16)11-12/h4,6-9,11H,5,10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate?
tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate has a molecular weight of 265.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate is sourced from PubChem (CID 170489856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).