4,4,5,5-tetrafluoro-2-methylpiperidine

C6H9F4N — CID 157309012

IUPAC4,4,5,5-tetrafluoro-2-methylpiperidine
SMILESCC1CC(F)(F)C(F)(F)CN1
InChIInChI=1S/C6H9F4N/c1-4-2-5(7,8)6(9,10)3-11-4/h4,11H,2-3H2,1H3
InChIKeyVSOULLWOZFXGBV-UHFFFAOYSA-N
MW171.14 g/mol
LogP1.64
Rot. Bonds

About 4,4,5,5-tetrafluoro-2-methylpiperidine

4,4,5,5-tetrafluoro-2-methylpiperidine (PubChem CID 157309012) has the molecular formula C6H9F4N and a molecular weight of 171.14 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-2-methylpiperidine.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-2-methylpiperidine
PubChem CID157309012
Molecular FormulaC6H9F4N
Molecular Weight171.14 g/mol
Exact Mass171.07
IUPAC Name4,4,5,5-tetrafluoro-2-methylpiperidine
SMILESCC1CC(F)(F)C(F)(F)CN1
InChIInChI=1S/C6H9F4N/c1-4-2-5(7,8)6(9,10)3-11-4/h4,11H,2-3H2,1H3
InChIKeyVSOULLWOZFXGBV-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;propane;2,4,4-trimethylpyrrolidine
CID 144594134
2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane
CID 145242282
(6S)-6-methyl-2-thia-7-azaspiro[3.4]octane
CID 155425689
6-methyl-1,3-dioxa-7-azaspiro[3.4]octane
CID 169199001
2,2-difluoro-6-methyl-5-azaspiro[2.6]nonane
CID 170772056
(3S)-3-methyl-2-azaspiro[4.5]decane;hydrochloride
CID 154577147
trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
CID 7154578
2,4-dimethyl-4-(2-methylpropyl)pyrrolidine
CID 166463716
(2S,6R)-4,4-difluoro-2,6-dimethylpiperidine
CID 170328463
(2S)-3,3-difluoro-2-methylazetidine;hydrochloride
CID 135396986
(3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid
CID 15235153
cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate
CID 10981759

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluoro-2-methylpiperidine?
The IUPAC name of 4,4,5,5-tetrafluoro-2-methylpiperidine (CID 157309012) is 4,4,5,5-tetrafluoro-2-methylpiperidine.
What is the SMILES notation for 4,4,5,5-tetrafluoro-2-methylpiperidine?
The canonical SMILES for 4,4,5,5-tetrafluoro-2-methylpiperidine is CC1CC(F)(F)C(F)(F)CN1.
What is the InChIKey of 4,4,5,5-tetrafluoro-2-methylpiperidine?
The InChIKey is VSOULLWOZFXGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4N/c1-4-2-5(7,8)6(9,10)3-11-4/h4,11H,2-3H2,1H3.
What are the key properties of 4,4,5,5-tetrafluoro-2-methylpiperidine?
4,4,5,5-tetrafluoro-2-methylpiperidine has a molecular weight of 171.14 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-2-methylpiperidine is sourced from PubChem (CID 157309012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).