2-cyclohexyl-3-fluoro-3-methylpyrrolidine

C11H20FN — CID 84718947

IUPAC2-cyclohexyl-3-fluoro-3-methylpyrrolidine
SMILESCC1(F)CCNC1C1CCCCC1
InChIInChI=1S/C11H20FN/c1-11(12)7-8-13-10(11)9-5-3-2-4-6-9/h9-10,13H,2-8H2,1H3
InChIKeyWFVQAVLZWXPXKH-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.66
Rot. Bonds1

About 2-cyclohexyl-3-fluoro-3-methylpyrrolidine

2-cyclohexyl-3-fluoro-3-methylpyrrolidine (PubChem CID 84718947) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-cyclohexyl-3-fluoro-3-methylpyrrolidine.

Molecular Properties

Compound Name2-cyclohexyl-3-fluoro-3-methylpyrrolidine
PubChem CID84718947
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name2-cyclohexyl-3-fluoro-3-methylpyrrolidine
SMILESCC1(F)CCNC1C1CCCCC1
InChIInChI=1S/C11H20FN/c1-11(12)7-8-13-10(11)9-5-3-2-4-6-9/h9-10,13H,2-8H2,1H3
InChIKeyWFVQAVLZWXPXKH-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cycloheptyl-3-fluoro-3-methylpiperidine
CID 84723550
3-cyclohexyl-4-fluoro-4-methylpiperidine
CID 84721139
3-cycloheptyl-4-fluoro-4-methylpiperidine
CID 84723549
3-cyclobutyl-4-fluoro-4-methylpiperidine
CID 84717415
(3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol
CID 170098111
2-(2-fluoro-2-methylcyclopentyl)piperidine
CID 131137648
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
4-cyclopentyl-3-fluoro-3-methylpyrrolidine
CID 115013913
3-piperidin-4-yl-2-azaspiro[3.3]heptane
CID 134968782
6-cyclohexylthiazinane;ethane
CID 144883363
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650
2-cyclopentyl-4,4-difluoro-2-methylpiperidine
CID 115023054

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-fluoro-3-methylpyrrolidine?
The IUPAC name of 2-cyclohexyl-3-fluoro-3-methylpyrrolidine (CID 84718947) is 2-cyclohexyl-3-fluoro-3-methylpyrrolidine.
What is the SMILES notation for 2-cyclohexyl-3-fluoro-3-methylpyrrolidine?
The canonical SMILES for 2-cyclohexyl-3-fluoro-3-methylpyrrolidine is CC1(F)CCNC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-fluoro-3-methylpyrrolidine?
The InChIKey is WFVQAVLZWXPXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-11(12)7-8-13-10(11)9-5-3-2-4-6-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 2-cyclohexyl-3-fluoro-3-methylpyrrolidine?
2-cyclohexyl-3-fluoro-3-methylpyrrolidine has a molecular weight of 185.29 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-fluoro-3-methylpyrrolidine is sourced from PubChem (CID 84718947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).