tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate

C15H22FNO3 — CID 66706655

IUPACtert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate
SMILESC[C@H](COCc1ccc(F)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22FNO3/c1-11(17-14(18)20-15(2,3)4)9-19-10-12-5-7-13(16)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeySWJUXIDSVBFRML-LLVKDONJSA-N
MW283.34 g/mol
LogP3.26
Rot. Bonds5

About tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate (PubChem CID 66706655) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate
PubChem CID66706655
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Nametert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate
SMILESC[C@H](COCc1ccc(F)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22FNO3/c1-11(17-14(18)20-15(2,3)4)9-19-10-12-5-7-13(16)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeySWJUXIDSVBFRML-LLVKDONJSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate
CID 71077122
(2S,3R)-3-[(4-fluorophenyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 164605041
propan-2-yl (2R)-3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 24879994
tert-butyl 3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 67279196
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
tert-butyl N-[1-[[3-cyano-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methoxy]propan-2-yl]carbamate
CID 167100847
tert-butyl N-[(2S)-1-(sulfanylmethoxy)propan-2-yl]carbamate
CID 160711202
tert-butyl N-[2-[(4-fluorophenyl)methylamino]propyl]carbamate
CID 103387257
tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 54757476
(2S)-3-[(4-chlorophenyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7018794
tert-butyl N-(3,3-difluoro-1-phenylmethoxypent-4-en-2-yl)carbamate
CID 171548047
tert-butyl N-[(2S)-3-methyl-1-[(4-propan-2-ylsulfinylphenyl)methoxy]butan-2-yl]carbamate
CID 163671687

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate (CID 66706655) is tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate is C[C@H](COCc1ccc(F)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate?
The InChIKey is SWJUXIDSVBFRML-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-11(17-14(18)20-15(2,3)4)9-19-10-12-5-7-13(16)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,17,18)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate has a molecular weight of 283.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate is sourced from PubChem (CID 66706655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).