tert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate

C14H18FNO3 — CID 87606141

IUPACtert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate
SMILESCC(C=O)N(C(=O)OC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-10(9-17)16(13(18)19-14(2,3)4)12-7-5-11(15)6-8-12/h5-10H,1-4H3
InChIKeyUGHMOGDFKQBJBG-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.15
Rot. Bonds3

About tert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate

tert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate (PubChem CID 87606141) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is tert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate
PubChem CID87606141
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nametert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate
SMILESCC(C=O)N(C(=O)OC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-10(9-17)16(13(18)19-14(2,3)4)12-7-5-11(15)6-8-12/h5-10H,1-4H3
InChIKeyUGHMOGDFKQBJBG-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-(ethylsulfanylmethyl)phenyl]-N-(1-oxopropan-2-yl)carbamate
CID 87652150
tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate
CID 76675820
tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate
CID 141352721
(2S)-2-[3,4-difluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 140655247
(2S)-2-[4-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-(4-fluorophenyl)propanoic acid
CID 151542424
2-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 24820151
tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate
CID 162689282
ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate
CID 117061413
tert-butyl N-[(2S)-4-[3-fluoro-5-(4-fluorophenyl)phenyl]but-3-en-2-yl]-N-hydroxycarbamate
CID 173332454
tert-butyl [4-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl] carbonate
CID 70185068
tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
CID 116860960
tert-butyl 3-(4-fluorophenyl)-2-methyl-3-oxopropanoate
CID 66337972

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate (CID 87606141) is tert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate is CC(C=O)N(C(=O)OC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate?
The InChIKey is UGHMOGDFKQBJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10(9-17)16(13(18)19-14(2,3)4)12-7-5-11(15)6-8-12/h5-10H,1-4H3.
What are the key properties of tert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate?
tert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate has a molecular weight of 267.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate is sourced from PubChem (CID 87606141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).