4,4-difluoro-2-phenylpiperidine;ethane

C13H19F2N — CID 145285471

IUPAC4,4-difluoro-2-phenylpiperidine;ethane
SMILESCC.FC1(F)CCNC(c2ccccc2)C1
InChIInChI=1S/C11H13F2N.C2H6/c12-11(13)6-7-14-10(8-11)9-4-2-1-3-5-9;1-2/h1-5,10,14H,6-8H2;1-2H3
InChIKeyGICGDKTUTUJBAO-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.77
Rot. Bonds1

About 4,4-difluoro-2-phenylpiperidine;ethane

4,4-difluoro-2-phenylpiperidine;ethane (PubChem CID 145285471) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 4,4-difluoro-2-phenylpiperidine;ethane.

Molecular Properties

Compound Name4,4-difluoro-2-phenylpiperidine;ethane
PubChem CID145285471
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4,4-difluoro-2-phenylpiperidine;ethane
SMILESCC.FC1(F)CCNC(c2ccccc2)C1
InChIInChI=1S/C11H13F2N.C2H6/c12-11(13)6-7-14-10(8-11)9-4-2-1-3-5-9;1-2/h1-5,10,14H,6-8H2;1-2H3
InChIKeyGICGDKTUTUJBAO-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4,4-difluoropiperidin-2-yl)phenol
CID 84782688
5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine
CID 167033139
ethane;(2S)-2-phenylaziridine
CID 145185749
3,3-difluoro-2-phenylpyrrolidine;hydrochloride
CID 84724544
(2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine
CID 175634971
2-(4-fluorophenyl)-4-methylpiperidin-4-ol
CID 117236664
4,4-difluoro-2-(3-methylphenyl)pyrrolidine
CID 84720826
(2R)-4,4-difluoro-2-(4-fluorophenyl)pyrrolidine
CID 159819312
4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile
CID 168994260
4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115039890
4-phenyl-1,5-diazocan-2-one
CID 13048236
(2S)-2-phenylpiperidine
CID 10997356

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-phenylpiperidine;ethane?
The IUPAC name of 4,4-difluoro-2-phenylpiperidine;ethane (CID 145285471) is 4,4-difluoro-2-phenylpiperidine;ethane.
What is the SMILES notation for 4,4-difluoro-2-phenylpiperidine;ethane?
The canonical SMILES for 4,4-difluoro-2-phenylpiperidine;ethane is CC.FC1(F)CCNC(c2ccccc2)C1.
What is the InChIKey of 4,4-difluoro-2-phenylpiperidine;ethane?
The InChIKey is GICGDKTUTUJBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N.C2H6/c12-11(13)6-7-14-10(8-11)9-4-2-1-3-5-9;1-2/h1-5,10,14H,6-8H2;1-2H3.
What are the key properties of 4,4-difluoro-2-phenylpiperidine;ethane?
4,4-difluoro-2-phenylpiperidine;ethane has a molecular weight of 227.30 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-phenylpiperidine;ethane is sourced from PubChem (CID 145285471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).