tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate

C14H18FNO2 — CID 102440441

IUPACtert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-14(2,3)18-13(17)16-10-4-5-11-6-8-12(15)9-7-11/h4-9H,10H2,1-3H3,(H,16,17)/b5-4+
InChIKeyLRPKWQZGEKROPL-SNAWJCMRSA-N
MW251.30 g/mol
LogP3.36
Rot. Bonds3

About tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate

tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate (PubChem CID 102440441) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
PubChem CID102440441
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nametert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-14(2,3)18-13(17)16-10-4-5-11-6-8-12(15)9-7-11/h4-9H,10H2,1-3H3,(H,16,17)/b5-4+
InChIKeyLRPKWQZGEKROPL-SNAWJCMRSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]prop-2-enoic acid
CID 169468034
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097
2-methyl-2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]propanoic acid
CID 169468334
tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate
CID 169467603
2-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoic acid
CID 169467747
tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate
CID 169468047
tert-butyl N-[3-[3-fluoro-5-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467398
tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate
CID 169466948
tert-butyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169467841
tert-butyl N-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169467876
1-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]cyclopropane-1-carboxylic acid
CID 169468275
tert-butyl N-[3-[3-(hydroxymethyl)-4-methylphenyl]prop-2-enyl]carbamate
CID 169467416

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate (CID 102440441) is tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C=C/c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate?
The InChIKey is LRPKWQZGEKROPL-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(2,3)18-13(17)16-10-4-5-11-6-8-12(15)9-7-11/h4-9H,10H2,1-3H3,(H,16,17)/b5-4+.
What are the key properties of tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate?
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate has a molecular weight of 251.30 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 102440441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).