tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate

C17H24FNO4 — CID 162343051

IUPACtert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)C1(OCc2ccccc2)COC1
InChIInChI=1S/C17H24FNO4/c1-16(2,3)23-15(20)19-9-14(18)17(11-21-12-17)22-10-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,20)
InChIKeyYCNWKDDCHHQFBW-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.84
Rot. Bonds6

About tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate

tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate (PubChem CID 162343051) has the molecular formula C17H24FNO4 and a molecular weight of 325.38 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate
PubChem CID162343051
Molecular FormulaC17H24FNO4
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Nametert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)C1(OCc2ccccc2)COC1
InChIInChI=1S/C17H24FNO4/c1-16(2,3)23-15(20)19-9-14(18)17(11-21-12-17)22-10-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,20)
InChIKeyYCNWKDDCHHQFBW-UHFFFAOYSA-N
XLogP2.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-phenylmethoxyoxetane-3-carboxylate
CID 165386244
tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate
CID 140879382
benzyl 2-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-3-yl]propanoate
CID 135742613
benzyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 122173606
tert-butyl N-[(2S)-6-[(2R)-oxiran-2-yl]-2-phenylmethoxyhexyl]carbamate
CID 71614418
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
tert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate
CID 118424356
benzyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamic acid
CID 143832483
benzyl N-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
CID 77305296
tert-butyl N-[4-oxo-4-(phenylmethoxyamino)butyl]carbamate
CID 9227591
benzyl (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoate
CID 124930565
benzyl N-[(2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-2-yl]carbamate
CID 87844984

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate (CID 162343051) is tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCC(F)C1(OCc2ccccc2)COC1.
What is the InChIKey of tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate?
The InChIKey is YCNWKDDCHHQFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO4/c1-16(2,3)23-15(20)19-9-14(18)17(11-21-12-17)22-10-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate?
tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate has a molecular weight of 325.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate is sourced from PubChem (CID 162343051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).