4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine

C9H15F4N — CID 130590333

IUPAC4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine
SMILESCC1CNCCC1(F)CCC(F)(F)F
InChIInChI=1S/C9H15F4N/c1-7-6-14-5-4-8(7,10)2-3-9(11,12)13/h7,14H,2-6H2,1H3
InChIKeyGAAFLXSFRYBGLB-UHFFFAOYSA-N
MW213.22 g/mol
LogP2.67
Rot. Bonds2

About 4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine

4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine (PubChem CID 130590333) has the molecular formula C9H15F4N and a molecular weight of 213.22 g/mol. Its IUPAC name is 4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine
PubChem CID130590333
Molecular FormulaC9H15F4N
Molecular Weight213.22 g/mol
Exact Mass213.11
IUPAC Name4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine
SMILESCC1CNCCC1(F)CCC(F)(F)F
InChIInChI=1S/C9H15F4N/c1-7-6-14-5-4-8(7,10)2-3-9(11,12)13/h7,14H,2-6H2,1H3
InChIKeyGAAFLXSFRYBGLB-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-4-(3,3,3-trifluoropropyl)piperidine
CID 112563135
4-cyclopropyl-4-ethyl-3-methylpiperidine
CID 79320206
5,9-dimethyl-3-azaspiro[5.5]undecane
CID 79320887
6-methyl-2,8-diazaspiro[4.5]decane
CID 83680090
(3R)-3,4-dimethylpiperidin-4-ol
CID 153404832
3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine
CID 116536422
5-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 79321561
3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol
CID 114501859
4-tert-butyl-4-(trifluoromethyl)piperidine
CID 122629323
2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64565894
3-ethyl-4-fluoro-4-methylpiperidine
CID 84716301
(3S,4S)-3,4-difluoro-4-methylpiperidine
CID 125117149

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine (CID 130590333) is 4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine is CC1CNCCC1(F)CCC(F)(F)F.
What is the InChIKey of 4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is GAAFLXSFRYBGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4N/c1-7-6-14-5-4-8(7,10)2-3-9(11,12)13/h7,14H,2-6H2,1H3.
What are the key properties of 4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine?
4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 213.22 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-4-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 130590333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).