ethyl 4-(fluoromethylidene)piperidine-1-carboxylate

C9H14FNO2 — CID 24976717

IUPACethyl 4-(fluoromethylidene)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=CF)CC1
InChIInChI=1S/C9H14FNO2/c1-2-13-9(12)11-5-3-8(7-10)4-6-11/h7H,2-6H2,1H3
InChIKeyMBOIKPQJNGKBDA-UHFFFAOYSA-N
MW187.21 g/mol
LogP2.09
Rot. Bonds1

About ethyl 4-(fluoromethylidene)piperidine-1-carboxylate

ethyl 4-(fluoromethylidene)piperidine-1-carboxylate (PubChem CID 24976717) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is ethyl 4-(fluoromethylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(fluoromethylidene)piperidine-1-carboxylate
PubChem CID24976717
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Nameethyl 4-(fluoromethylidene)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=CF)CC1
InChIInChI=1S/C9H14FNO2/c1-2-13-9(12)11-5-3-8(7-10)4-6-11/h7H,2-6H2,1H3
InChIKeyMBOIKPQJNGKBDA-UHFFFAOYSA-N
XLogP2.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(fluoromethylidene)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(fluoromethylidene)piperidine-1-carboxylate (CID 24976717) is ethyl 4-(fluoromethylidene)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(fluoromethylidene)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(fluoromethylidene)piperidine-1-carboxylate is CCOC(=O)N1CCC(=CF)CC1.
What is the InChIKey of ethyl 4-(fluoromethylidene)piperidine-1-carboxylate?
The InChIKey is MBOIKPQJNGKBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-2-13-9(12)11-5-3-8(7-10)4-6-11/h7H,2-6H2,1H3.
What are the key properties of ethyl 4-(fluoromethylidene)piperidine-1-carboxylate?
ethyl 4-(fluoromethylidene)piperidine-1-carboxylate has a molecular weight of 187.21 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(fluoromethylidene)piperidine-1-carboxylate is sourced from PubChem (CID 24976717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).