propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate

C13H15F2NO2 — CID 91552777

IUPACpropan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate
SMILESC=CCc1c(F)cc(NC(=O)OC(C)C)cc1F
InChIInChI=1S/C13H15F2NO2/c1-4-5-10-11(14)6-9(7-12(10)15)16-13(17)18-8(2)3/h4,6-8H,1,5H2,2-3H3,(H,16,17)
InChIKeyUIDXMSZDKFBMJP-UHFFFAOYSA-N
MW255.26 g/mol
LogP3.65
Rot. Bonds4

About propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate

propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate (PubChem CID 91552777) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate
PubChem CID91552777
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Namepropan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate
SMILESC=CCc1c(F)cc(NC(=O)OC(C)C)cc1F
InChIInChI=1S/C13H15F2NO2/c1-4-5-10-11(14)6-9(7-12(10)15)16-13(17)18-8(2)3/h4,6-8H,1,5H2,2-3H3,(H,16,17)
InChIKeyUIDXMSZDKFBMJP-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)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

propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate
CID 13259854
propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate
CID 137476904
propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate
CID 107364692
3,5-difluoro-4-prop-2-enylbenzoic acid
CID 13075320
propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate
CID 13304010
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495
propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
CID 107812713
propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate
CID 13304013
propan-2-yl N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]carbamate
CID 62315641
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
propan-2-yl N-(5-methyl-3-pyridinyl)carbamate
CID 107584983

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate?
The IUPAC name of propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate (CID 91552777) is propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate?
The canonical SMILES for propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate is C=CCc1c(F)cc(NC(=O)OC(C)C)cc1F.
What is the InChIKey of propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate?
The InChIKey is UIDXMSZDKFBMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-4-5-10-11(14)6-9(7-12(10)15)16-13(17)18-8(2)3/h4,6-8H,1,5H2,2-3H3,(H,16,17).
What are the key properties of propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate?
propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate has a molecular weight of 255.26 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate is sourced from PubChem (CID 91552777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).