ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate

C8H15FNO2P — CID 177209400

IUPACethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(P)CC1
InChIInChI=1S/C8H15FNO2P/c1-2-12-7(11)8(9)3-5-10(13)6-4-8/h2-6,13H2,1H3
InChIKeySIQHUNRHWYBMOR-UHFFFAOYSA-N
MW207.18 g/mol
LogP1.14
Rot. Bonds2

About ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate

ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate (PubChem CID 177209400) has the molecular formula C8H15FNO2P and a molecular weight of 207.18 g/mol. Its IUPAC name is ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate
PubChem CID177209400
Molecular FormulaC8H15FNO2P
Molecular Weight207.18 g/mol
Exact Mass207.08
IUPAC Nameethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(P)CC1
InChIInChI=1S/C8H15FNO2P/c1-2-12-7(11)8(9)3-5-10(13)6-4-8/h2-6,13H2,1H3
InChIKeySIQHUNRHWYBMOR-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277
ethyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 135382866
ethyl 1-fluorocyclopent-3-ene-1-carboxylate
CID 45090301
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070
ethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate
CID 175990361
ethyl 4-fluoro-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate
CID 159445983
ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
CID 137331820
diethyl 1-methylpiperidine-4,4-dicarboxylate
CID 121001338
ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate
CID 92980111
1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidine-4-carboxylic acid;ethyl 1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidine-4-carboxylate
CID 157330313
ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate
CID 162586046
ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate
CID 59584750

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate (CID 177209400) is ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate is CCOC(=O)C1(F)CCN(P)CC1.
What is the InChIKey of ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate?
The InChIKey is SIQHUNRHWYBMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FNO2P/c1-2-12-7(11)8(9)3-5-10(13)6-4-8/h2-6,13H2,1H3.
What are the key properties of ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate?
ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate has a molecular weight of 207.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate is sourced from PubChem (CID 177209400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).