tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate

C9H18FNO3 — CID 93002503

IUPACtert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CF)CCO
InChIInChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)11-7(6-10)4-5-12/h7,12H,4-6H2,1-3H3,(H,11,13)/t7-/m0/s1
InChIKeyBSUYMAYNARYLKC-ZETCQYMHSA-N
MW207.24 g/mol
LogP1.23
Rot. Bonds4

About tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate

tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate (PubChem CID 93002503) has the molecular formula C9H18FNO3 and a molecular weight of 207.24 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate
PubChem CID93002503
Molecular FormulaC9H18FNO3
Molecular Weight207.24 g/mol
Exact Mass207.13
IUPAC Nametert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CF)CCO
InChIInChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)11-7(6-10)4-5-12/h7,12H,4-6H2,1-3H3,(H,11,13)/t7-/m0/s1
InChIKeyBSUYMAYNARYLKC-ZETCQYMHSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
CID 87063359
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate
CID 161209613
tert-butyl N-[1-fluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexan-2-yl]carbamate
CID 88692273
tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate
CID 86710332
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
tert-butyl N-(7-hydroxyheptan-3-yl)carbamate
CID 142913941
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane
CID 176970669
tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate;methanesulfonic acid
CID 86663657
tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 144676019
tert-butyl (2S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170558282

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate (CID 93002503) is tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CF)CCO.
What is the InChIKey of tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate?
The InChIKey is BSUYMAYNARYLKC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)11-7(6-10)4-5-12/h7,12H,4-6H2,1-3H3,(H,11,13)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate has a molecular weight of 207.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 93002503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).