tert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate

C14H26FNO3 — CID 102215825

IUPACtert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate
SMILESC/C(F)=C\CCCC[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26FNO3/c1-11(15)8-6-5-7-9-12(10-17)16-13(18)19-14(2,3)4/h8,12,17H,5-7,9-10H2,1-4H3,(H,16,18)/b11-8+/t12-/m0/s1
InChIKeyYWWQCHVNXHZSQG-OBIHZWKSSA-N
MW275.36 g/mol
LogP3.31
Rot. Bonds7

About tert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate

tert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate (PubChem CID 102215825) has the molecular formula C14H26FNO3 and a molecular weight of 275.36 g/mol. Its IUPAC name is tert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate
PubChem CID102215825
Molecular FormulaC14H26FNO3
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Nametert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate
SMILESC/C(F)=C\CCCC[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26FNO3/c1-11(15)8-6-5-7-9-12(10-17)16-13(18)19-14(2,3)4/h8,12,17H,5-7,9-10H2,1-4H3,(H,16,18)/b11-8+/t12-/m0/s1
InChIKeyYWWQCHVNXHZSQG-OBIHZWKSSA-N
XLogP3.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate (CID 102215825) is tert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate is C/C(F)=C\CCCC[C@@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate?
The InChIKey is YWWQCHVNXHZSQG-OBIHZWKSSA-N. The full InChI is InChI=1S/C14H26FNO3/c1-11(15)8-6-5-7-9-12(10-17)16-13(18)19-14(2,3)4/h8,12,17H,5-7,9-10H2,1-4H3,(H,16,18)/b11-8+/t12-/m0/s1.
What are the key properties of tert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate?
tert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate has a molecular weight of 275.36 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate is sourced from PubChem (CID 102215825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).