tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate

C14H18FNO3 — CID 76826502

IUPACtert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C=O)Cc1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)16-11(9-17)8-10-6-4-5-7-12(10)15/h4-7,9,11H,8H2,1-3H3,(H,16,18)
InChIKeyNUWVZMSBCDTAAZ-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.46
Rot. Bonds4

About tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate

tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate (PubChem CID 76826502) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate
PubChem CID76826502
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nametert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C=O)Cc1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)16-11(9-17)8-10-6-4-5-7-12(10)15/h4-7,9,11H,8H2,1-3H3,(H,16,18)
InChIKeyNUWVZMSBCDTAAZ-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-(2-methoxyphenyl)-3-oxopropan-2-yl]carbamate
CID 84730394
(2S)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7020831
tert-butyl N-[4-(2-hydroxyphenyl)-1-oxobutan-2-yl]carbamate
CID 84730386
tert-butyl N-[4-(2-methylphenyl)-1-oxobutan-2-yl]carbamate
CID 84730312
tert-butyl N-[1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate
CID 72575955
tert-butyl N-[1-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutan-2-yl]carbamate
CID 69489029
tert-butyl N-[(2S)-1-oxo-3-[4-(4-phenoxyphenoxy)phenyl]propan-2-yl]carbamate
CID 91581048
tert-butyl N-[4-(2-chlorophenyl)-1-oxobutan-2-yl]carbamate
CID 84731009
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]indole-1-carboxylate
CID 88559112
tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate
CID 142321737
tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate
CID 77156771
tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 110409696

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate (CID 76826502) is tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C=O)Cc1ccccc1F.
What is the InChIKey of tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate?
The InChIKey is NUWVZMSBCDTAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)16-11(9-17)8-10-6-4-5-7-12(10)15/h4-7,9,11H,8H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate has a molecular weight of 267.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate is sourced from PubChem (CID 76826502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).