1-(2-butoxyethyl)-3,3-difluoropiperidine

C11H21F2NO — CID 154627823

IUPAC1-(2-butoxyethyl)-3,3-difluoropiperidine
SMILESCCCCOCCN1CCCC(F)(F)C1
InChIInChI=1S/C11H21F2NO/c1-2-3-8-15-9-7-14-6-4-5-11(12,13)10-14/h2-10H2,1H3
InChIKeyZCQIFRJSEAHHOR-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.53
Rot. Bonds6

About 1-(2-butoxyethyl)-3,3-difluoropiperidine

1-(2-butoxyethyl)-3,3-difluoropiperidine (PubChem CID 154627823) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-3,3-difluoropiperidine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-3,3-difluoropiperidine
PubChem CID154627823
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name1-(2-butoxyethyl)-3,3-difluoropiperidine
SMILESCCCCOCCN1CCCC(F)(F)C1
InChIInChI=1S/C11H21F2NO/c1-2-3-8-15-9-7-14-6-4-5-11(12,13)10-14/h2-10H2,1H3
InChIKeyZCQIFRJSEAHHOR-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,3,5-tris(2-butoxyethyl)-1,3,5-triazinane
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3,3-difluoro-1-(3-methylbutyl)piperidine
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1-[2-(2-decoxyethoxy)ethyl]piperidine
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4-[4-(2-butoxyethyl)-1,4-diazepan-1-yl]butan-1-amine
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5-butyl-5-azaspiro[2.5]octane
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3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid
CID 175429704
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
CID 104560345
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-3,3-difluoropiperidine?
The IUPAC name of 1-(2-butoxyethyl)-3,3-difluoropiperidine (CID 154627823) is 1-(2-butoxyethyl)-3,3-difluoropiperidine.
What is the SMILES notation for 1-(2-butoxyethyl)-3,3-difluoropiperidine?
The canonical SMILES for 1-(2-butoxyethyl)-3,3-difluoropiperidine is CCCCOCCN1CCCC(F)(F)C1.
What is the InChIKey of 1-(2-butoxyethyl)-3,3-difluoropiperidine?
The InChIKey is ZCQIFRJSEAHHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-2-3-8-15-9-7-14-6-4-5-11(12,13)10-14/h2-10H2,1H3.
What are the key properties of 1-(2-butoxyethyl)-3,3-difluoropiperidine?
1-(2-butoxyethyl)-3,3-difluoropiperidine has a molecular weight of 221.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-3,3-difluoropiperidine is sourced from PubChem (CID 154627823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).