tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene

C21H34FNO4 — CID 144830570

IUPACtert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene
SMILESCC(C)(C)OC(=O)N[C@H](CO)CF.c1ccc(COC2CCCCC2)cc1
InChIInChI=1S/C13H18O.C8H16FNO3/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;1-8(2,3)13-7(12)10-6(4-9)5-11/h1,3-4,7-8,13H,2,5-6,9-11H2;6,11H,4-5H2,1-3H3,(H,10,12)/t;6-/m.0/s1
InChIKeyFUDNXHYOYZLUJR-ZCMDIHMWSA-N
MW383.50 g/mol
LogP4.38
Rot. Bonds6

About tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene

tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene (PubChem CID 144830570) has the molecular formula C21H34FNO4 and a molecular weight of 383.50 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene
PubChem CID144830570
Molecular FormulaC21H34FNO4
Molecular Weight383.50 g/mol
Exact Mass383.25
IUPAC Nametert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene
SMILESCC(C)(C)OC(=O)N[C@H](CO)CF.c1ccc(COC2CCCCC2)cc1
InChIInChI=1S/C13H18O.C8H16FNO3/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;1-8(2,3)13-7(12)10-6(4-9)5-11/h1,3-4,7-8,13H,2,5-6,9-11H2;6,11H,4-5H2,1-3H3,(H,10,12)/t;6-/m.0/s1
InChIKeyFUDNXHYOYZLUJR-ZCMDIHMWSA-N
XLogP4.38
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate
CID 162695525
benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate
CID 170167802
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
benzyl N-[(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 54311915
benzyl N-[(2R)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 59199757
tert-butyl N-[(2S)-1-benzylsulfanyl-3-hydroxypropan-2-yl]carbamate
CID 51340400
tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
CID 58216148
tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate
CID 23434416
tert-butyl N-[(2S)-1-(3-benzyl-5-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 58604016
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate;tert-butyl N-[(1S)-2-phenylmethoxycyclohexyl]carbamate
CID 158364614
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc
CID 59740969
benzyl (2S)-3-cyclohexyl-2-[[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 59709687

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene?
The IUPAC name of tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene (CID 144830570) is tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene.
What is the SMILES notation for tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene?
The canonical SMILES for tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene is CC(C)(C)OC(=O)N[C@H](CO)CF.c1ccc(COC2CCCCC2)cc1.
What is the InChIKey of tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene?
The InChIKey is FUDNXHYOYZLUJR-ZCMDIHMWSA-N. The full InChI is InChI=1S/C13H18O.C8H16FNO3/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;1-8(2,3)13-7(12)10-6(4-9)5-11/h1,3-4,7-8,13H,2,5-6,9-11H2;6,11H,4-5H2,1-3H3,(H,10,12)/t;6-/m.0/s1.
What are the key properties of tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene?
tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene has a molecular weight of 383.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene is sourced from PubChem (CID 144830570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).