tert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate

C9H16FNO3 — CID 71437553

IUPACtert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate
SMILESCC(C)(C)OC(=O)NCC=C(F)CO
InChIInChI=1S/C9H16FNO3/c1-9(2,3)14-8(13)11-5-4-7(10)6-12/h4,12H,5-6H2,1-3H3,(H,11,13)
InChIKeyDVEMVHCJYUKOPX-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.36
Rot. Bonds3

About tert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate

tert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate (PubChem CID 71437553) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is tert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate
PubChem CID71437553
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Nametert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate
SMILESCC(C)(C)OC(=O)NCC=C(F)CO
InChIInChI=1S/C9H16FNO3/c1-9(2,3)14-8(13)11-5-4-7(10)6-12/h4,12H,5-6H2,1-3H3,(H,11,13)
InChIKeyDVEMVHCJYUKOPX-UHFFFAOYSA-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

tert-butyl N-[(Z)-3-fluoro-4-hydroxybut-2-enyl]carbamate;tert-butyl N-[(E)-3-fluoro-4-hydroxybut-2-enyl]carbamate;ethyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;ethyl (E)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 160597909
tert-butyl N-[(E)-3-fluoro-4-hydroxybut-2-enyl]carbamate;[(E)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl] methanesulfonate;methanesulfonyl chloride
CID 159863410
2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoic acid
CID 154272806
tert-butyl N-[(Z)-4-azido-3-fluorobut-2-enyl]carbamate
CID 154734307
2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoic acid
CID 162625001
methyl (E)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 14539281
tert-butyl N-(3-bromoprop-2-enyl)carbamate
CID 173240519
tert-butyl N-[(E)-4-oxobut-2-enyl]carbamate
CID 131235306
tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920
tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate
CID 129451512
ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175289352
tert-butyl N-(3-trimethylsilylprop-2-enyl)carbamate
CID 85157761

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate?
The IUPAC name of tert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate (CID 71437553) is tert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate?
The canonical SMILES for tert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate is CC(C)(C)OC(=O)NCC=C(F)CO.
What is the InChIKey of tert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate?
The InChIKey is DVEMVHCJYUKOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-9(2,3)14-8(13)11-5-4-7(10)6-12/h4,12H,5-6H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate?
tert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)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-(3-fluoro-4-hydroxybut-2-enyl)carbamate is sourced from PubChem (CID 71437553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).