ethyl 4-(difluoromethyl)piperidine-4-carboxylate

C9H15F2NO2 — CID 135383160

IUPACethyl 4-(difluoromethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(C(F)F)CCNCC1
InChIInChI=1S/C9H15F2NO2/c1-2-14-8(13)9(7(10)11)3-5-12-6-4-9/h7,12H,2-6H2,1H3
InChIKeyZHEWZJAUWFDHDV-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.18
Rot. Bonds3

About ethyl 4-(difluoromethyl)piperidine-4-carboxylate

ethyl 4-(difluoromethyl)piperidine-4-carboxylate (PubChem CID 135383160) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)piperidine-4-carboxylate
PubChem CID135383160
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Nameethyl 4-(difluoromethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(C(F)F)CCNCC1
InChIInChI=1S/C9H15F2NO2/c1-2-14-8(13)9(7(10)11)3-5-12-6-4-9/h7,12H,2-6H2,1H3
InChIKeyZHEWZJAUWFDHDV-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-acetylpiperidine-4-carboxylate
CID 79001872
4-ethoxycarbonylpiperidine-4-carboxylic acid;hydrobromide
CID 141202240
ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide
CID 141202253
ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate
CID 124710720
ethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate
CID 91088408
ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate
CID 61244108
ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate
CID 170591642
ethyl 4-(2-methoxyethyl)piperidine-4-carboxylate
CID 56753969
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
CID 71756654
ethyl 4-azidopiperidine-4-carboxylate
CID 150250309
ethyl 1-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride
CID 131964099
ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate
CID 70869304

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)piperidine-4-carboxylate (CID 135383160) is ethyl 4-(difluoromethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)piperidine-4-carboxylate is CCOC(=O)C1(C(F)F)CCNCC1.
What is the InChIKey of ethyl 4-(difluoromethyl)piperidine-4-carboxylate?
The InChIKey is ZHEWZJAUWFDHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-2-14-8(13)9(7(10)11)3-5-12-6-4-9/h7,12H,2-6H2,1H3.
What are the key properties of ethyl 4-(difluoromethyl)piperidine-4-carboxylate?
ethyl 4-(difluoromethyl)piperidine-4-carboxylate has a molecular weight of 207.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)piperidine-4-carboxylate is sourced from PubChem (CID 135383160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).