1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine

C15H21F2NS — CID 119038107

IUPAC1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine
SMILESFC1(F)CCCC(CN2CCCC2c2cccs2)C1
InChIInChI=1S/C15H21F2NS/c16-15(17)7-1-4-12(10-15)11-18-8-2-5-13(18)14-6-3-9-19-14/h3,6,9,12-13H,1-2,4-5,7-8,10-11H2
InChIKeyRYWSXYRQEOLIOV-UHFFFAOYSA-N
MW285.40 g/mol
LogP4.71
Rot. Bonds3

About 1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine

1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine (PubChem CID 119038107) has the molecular formula C15H21F2NS and a molecular weight of 285.40 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine
PubChem CID119038107
Molecular FormulaC15H21F2NS
Molecular Weight285.40 g/mol
Exact Mass285.14
IUPAC Name1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine
SMILESFC1(F)CCCC(CN2CCCC2c2cccs2)C1
InChIInChI=1S/C15H21F2NS/c16-15(17)7-1-4-12(10-15)11-18-8-2-5-13(18)14-6-3-9-19-14/h3,6,9,12-13H,1-2,4-5,7-8,10-11H2
InChIKeyRYWSXYRQEOLIOV-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane
CID 92878241
1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride
CID 120897555
(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 94383964
1-butyl-2-thiophen-2-ylpiperidine
CID 102544362
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312
(2S)-1-[(2-fluorophenyl)methyl]-2-thiophen-2-ylazepane
CID 92878201
1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 166193735
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 17424096
1-(2-methylpropyl)-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 18170819
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 11923842

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine (CID 119038107) is 1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine is FC1(F)CCCC(CN2CCCC2c2cccs2)C1.
What is the InChIKey of 1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine?
The InChIKey is RYWSXYRQEOLIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NS/c16-15(17)7-1-4-12(10-15)11-18-8-2-5-13(18)14-6-3-9-19-14/h3,6,9,12-13H,1-2,4-5,7-8,10-11H2.
What are the key properties of 1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine?
1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine has a molecular weight of 285.40 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 119038107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).