methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate

C14H16FNO3 — CID 132581445

IUPACmethyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate
SMILESC=CCOc1cc(F)ccc1C(C=C)NC(=O)OC
InChIInChI=1S/C14H16FNO3/c1-4-8-19-13-9-10(15)6-7-11(13)12(5-2)16-14(17)18-3/h4-7,9,12H,1-2,8H2,3H3,(H,16,17)
InChIKeyYPLQQLKCVUAUIH-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.97
Rot. Bonds6

About methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate

methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate (PubChem CID 132581445) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate
PubChem CID132581445
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Namemethyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate
SMILESC=CCOc1cc(F)ccc1C(C=C)NC(=O)OC
InChIInChI=1S/C14H16FNO3/c1-4-8-19-13-9-10(15)6-7-11(13)12(5-2)16-14(17)18-3/h4-7,9,12H,1-2,8H2,3H3,(H,16,17)
InChIKeyYPLQQLKCVUAUIH-UHFFFAOYSA-N
XLogP2.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]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

5-fluoro-2-prop-2-enoxybenzoic acid
CID 63674181
(4-fluoro-2-prop-2-enoxyphenyl)methanol
CID 67448374
methyl 4-fluoro-3-prop-2-enoxybenzoate
CID 67441936
methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate
CID 63066050
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
methyl 5-fluoro-2-pent-4-en-2-yloxybenzoate
CID 118307052
methyl 5-fluoro-2-[(2S)-pent-4-en-2-yl]oxybenzoate
CID 118318794
4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
CID 167302497
1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine
CID 55282422
methyl 3-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoate
CID 79629302
3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide
CID 63368106
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63064235

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate (CID 132581445) is methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate is C=CCOc1cc(F)ccc1C(C=C)NC(=O)OC.
What is the InChIKey of methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate?
The InChIKey is YPLQQLKCVUAUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-4-8-19-13-9-10(15)6-7-11(13)12(5-2)16-14(17)18-3/h4-7,9,12H,1-2,8H2,3H3,(H,16,17).
What are the key properties of methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate?
methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate has a molecular weight of 265.28 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 132581445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).