tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate

C13H20FNO2 — CID 123740466

IUPACtert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate
SMILESC=CC=C(C)C1(F)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H20FNO2/c1-6-7-9(2)13(14)8-10(13)15-11(16)17-12(3,4)5/h6-7,10H,1,8H2,2-5H3,(H,15,16)
InChIKeyUZRQVCFQPYMPQO-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.12
Rot. Bonds3

About tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate

tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate (PubChem CID 123740466) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate
PubChem CID123740466
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Nametert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate
SMILESC=CC=C(C)C1(F)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H20FNO2/c1-6-7-9(2)13(14)8-10(13)15-11(16)17-12(3,4)5/h6-7,10H,1,8H2,2-5H3,(H,15,16)
InChIKeyUZRQVCFQPYMPQO-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
tert-butyl N-[(3S)-4,4-difluoropyrrolidin-3-yl]carbamate
CID 124523315
trans-methyl (1S,4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 140874834
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate
CID 59351920
methyl (2S)-4,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylate
CID 175551974
tert-butyl N-[(1E)-1-hydroxybuta-1,3-dienyl]carbamate
CID 154986813

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate?
The IUPAC name of tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate (CID 123740466) is tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate is C=CC=C(C)C1(F)CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate?
The InChIKey is UZRQVCFQPYMPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-6-7-9(2)13(14)8-10(13)15-11(16)17-12(3,4)5/h6-7,10H,1,8H2,2-5H3,(H,15,16).
What are the key properties of tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate?
tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate has a molecular weight of 241.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate is sourced from PubChem (CID 123740466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).