tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate

C10H20FNO3 — CID 130004044

IUPACtert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate
SMILESCC(CF)C(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20FNO3/c1-7(5-11)8(6-13)12-9(14)15-10(2,3)4/h7-8,13H,5-6H2,1-4H3,(H,12,14)
InChIKeyNQUXMFBTWUGFFD-UHFFFAOYSA-N
MW221.27 g/mol
LogP1.48
Rot. Bonds4

About tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate

tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate (PubChem CID 130004044) has the molecular formula C10H20FNO3 and a molecular weight of 221.27 g/mol. Its IUPAC name is tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate
PubChem CID130004044
Molecular FormulaC10H20FNO3
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Nametert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate
SMILESCC(CF)C(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20FNO3/c1-7(5-11)8(6-13)12-9(14)15-10(2,3)4/h7-8,13H,5-6H2,1-4H3,(H,12,14)
InChIKeyNQUXMFBTWUGFFD-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-5-hydroxy-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118054348
tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 87666537
tert-butyl N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 10978099
tert-butyl N-[(2R,3S)-1,3-dihydroxy-4-methylpentan-2-yl]carbamate
CID 14310881
tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate
CID 163638463
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
(2R,3R)-4-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 16743319
tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate
CID 58898105
tert-butyl N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]carbamate
CID 138976837
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
CID 11141505
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate (CID 130004044) is tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate is CC(CF)C(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate?
The InChIKey is NQUXMFBTWUGFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO3/c1-7(5-11)8(6-13)12-9(14)15-10(2,3)4/h7-8,13H,5-6H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate?
tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate has a molecular weight of 221.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate is sourced from PubChem (CID 130004044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).