tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate

C9H16FNO3 — CID 130003566

IUPACtert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(/C=C/F)CO
InChIInChI=1S/C9H16FNO3/c1-9(2,3)14-8(13)11-7(6-12)4-5-10/h4-5,7,12H,6H2,1-3H3,(H,11,13)/b5-4+
InChIKeyAHUSIVAEVXNVIF-SNAWJCMRSA-N
MW205.23 g/mol
LogP1.36
Rot. Bonds3

About tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate

tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate (PubChem CID 130003566) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate
PubChem CID130003566
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Nametert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(/C=C/F)CO
InChIInChI=1S/C9H16FNO3/c1-9(2,3)14-8(13)11-7(6-12)4-5-10/h4-5,7,12H,6H2,1-3H3,(H,11,13)/b5-4+
InChIKeyAHUSIVAEVXNVIF-SNAWJCMRSA-N
XLogP1.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 58879226
CID 58879226
tert-butyl N-[(E,2S)-4-(4-bromophenyl)-1-hydroxybut-3-en-2-yl]carbamate
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tert-butyl N-[(E,2S)-4-diethoxyphosphoryl-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate
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tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate
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methyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 123473342
tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate
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tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate (CID 130003566) is tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate is CC(C)(C)OC(=O)NC(/C=C/F)CO.
What is the InChIKey of tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate?
The InChIKey is AHUSIVAEVXNVIF-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-9(2,3)14-8(13)11-7(6-12)4-5-10/h4-5,7,12H,6H2,1-3H3,(H,11,13)/b5-4+.
What are the key properties of tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate?
tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate has a molecular weight of 205.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate is sourced from PubChem (CID 130003566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).