prop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate

C14H19FN2O2 — CID 89353069

IUPACprop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate
SMILESC=C(C)OC(=O)Nc1ccc([C@H](C)N(C)C)cc1F
InChIInChI=1S/C14H19FN2O2/c1-9(2)19-14(18)16-13-7-6-11(8-12(13)15)10(3)17(4)5/h6-8,10H,1H2,2-5H3,(H,16,18)/t10-/m0/s1
InChIKeyUTAUPRNZAGANLD-JTQLQIEISA-N
MW266.32 g/mol
LogP3.53
Rot. Bonds4

About prop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate

prop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate (PubChem CID 89353069) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is prop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate
PubChem CID89353069
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Nameprop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate
SMILESC=C(C)OC(=O)Nc1ccc([C@H](C)N(C)C)cc1F
InChIInChI=1S/C14H19FN2O2/c1-9(2)19-14(18)16-13-7-6-11(8-12(13)15)10(3)17(4)5/h6-8,10H,1H2,2-5H3,(H,16,18)/t10-/m0/s1
InChIKeyUTAUPRNZAGANLD-JTQLQIEISA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate?
The IUPAC name of prop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate (CID 89353069) is prop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate.
What is the SMILES notation for prop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate?
The canonical SMILES for prop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate is C=C(C)OC(=O)Nc1ccc([C@H](C)N(C)C)cc1F.
What is the InChIKey of prop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate?
The InChIKey is UTAUPRNZAGANLD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(2)19-14(18)16-13-7-6-11(8-12(13)15)10(3)17(4)5/h6-8,10H,1H2,2-5H3,(H,16,18)/t10-/m0/s1.
What are the key properties of prop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate?
prop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate has a molecular weight of 266.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]carbamate is sourced from PubChem (CID 89353069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).