1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine

C16H20F4N2O2S — CID 133283522

IUPAC1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine
SMILESO=S(=O)(c1cc(F)ccc1N1CCCC(N2CCCC2)C1)C(F)(F)F
InChIInChI=1S/C16H20F4N2O2S/c17-12-5-6-14(15(10-12)25(23,24)16(18,19)20)22-9-3-4-13(11-22)21-7-1-2-8-21/h5-6,10,13H,1-4,7-9,11H2
InChIKeyOSCBUFQVVRFTGD-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.18
Rot. Bonds3

About 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine

1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine (PubChem CID 133283522) has the molecular formula C16H20F4N2O2S and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine
PubChem CID133283522
Molecular FormulaC16H20F4N2O2S
Molecular Weight380.41 g/mol
Exact Mass380.12
IUPAC Name1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine
SMILESO=S(=O)(c1cc(F)ccc1N1CCCC(N2CCCC2)C1)C(F)(F)F
InChIInChI=1S/C16H20F4N2O2S/c17-12-5-6-14(15(10-12)25(23,24)16(18,19)20)22-9-3-4-13(11-22)21-7-1-2-8-21/h5-6,10,13H,1-4,7-9,11H2
InChIKeyOSCBUFQVVRFTGD-UHFFFAOYSA-N
XLogP3.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol
CID 95697257
4-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]pyrimidin-2-amine
CID 102563444
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol
CID 133446523
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-fluorophenyl]ethanone
CID 63150976
4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-1,4-thiazepane
CID 133283409
1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine
CID 133283739
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine
CID 133284456
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid
CID 63170206
N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide
CID 133284294
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol
CID 79934838
2-(4-fluoro-2-methoxyphenyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926321
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-fluorobenzonitrile
CID 79025974

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine (CID 133283522) is 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine is O=S(=O)(c1cc(F)ccc1N1CCCC(N2CCCC2)C1)C(F)(F)F.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine?
The InChIKey is OSCBUFQVVRFTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N2O2S/c17-12-5-6-14(15(10-12)25(23,24)16(18,19)20)22-9-3-4-13(11-22)21-7-1-2-8-21/h5-6,10,13H,1-4,7-9,11H2.
What are the key properties of 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine?
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine has a molecular weight of 380.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 133283522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).