1,2-diethyl-4,4-difluoropiperidine

C9H17F2N — CID 177032235

IUPAC1,2-diethyl-4,4-difluoropiperidine
SMILESCCC1CC(F)(F)CCN1CC
InChIInChI=1S/C9H17F2N/c1-3-8-7-9(10,11)5-6-12(8)4-2/h8H,3-7H2,1-2H3
InChIKeyPABBLFWWMKZHQQ-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.52
Rot. Bonds2

About 1,2-diethyl-4,4-difluoropiperidine

1,2-diethyl-4,4-difluoropiperidine (PubChem CID 177032235) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1,2-diethyl-4,4-difluoropiperidine.

Molecular Properties

Compound Name1,2-diethyl-4,4-difluoropiperidine
PubChem CID177032235
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1,2-diethyl-4,4-difluoropiperidine
SMILESCCC1CC(F)(F)CCN1CC
InChIInChI=1S/C9H17F2N/c1-3-8-7-9(10,11)5-6-12(8)4-2/h8H,3-7H2,1-2H3
InChIKeyPABBLFWWMKZHQQ-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-4,4-difluoro-1-propylpiperidine
CID 177032816
(2R)-1-ethyl-4,4-difluoro-2-methylpiperidine
CID 174261400
(2S)-1-ethyl-4,4-difluoro-2-methylpiperidine
CID 156560046
6,7-diethyl-6-azaspiro[2.5]octane
CID 166936475
[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methanol
CID 146250684
azane;1,2-diethylazetidine;dihydrochloride
CID 175211859
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
1,2-diethylpiperidine
CID 19604037
3-ethyl-1,1-difluorocyclobutane
CID 67229999
2-ethyl-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine
CID 146528968
7,8-diethyl-1,4-dioxa-7-azaspiro[4.4]nonane
CID 89255157
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4,4-difluoropiperidine?
The IUPAC name of 1,2-diethyl-4,4-difluoropiperidine (CID 177032235) is 1,2-diethyl-4,4-difluoropiperidine.
What is the SMILES notation for 1,2-diethyl-4,4-difluoropiperidine?
The canonical SMILES for 1,2-diethyl-4,4-difluoropiperidine is CCC1CC(F)(F)CCN1CC.
What is the InChIKey of 1,2-diethyl-4,4-difluoropiperidine?
The InChIKey is PABBLFWWMKZHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-3-8-7-9(10,11)5-6-12(8)4-2/h8H,3-7H2,1-2H3.
What are the key properties of 1,2-diethyl-4,4-difluoropiperidine?
1,2-diethyl-4,4-difluoropiperidine has a molecular weight of 177.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4,4-difluoropiperidine is sourced from PubChem (CID 177032235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).