(3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol

C16H21F2NO — CID 79057940

IUPAC(3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
SMILESOC(c1cc(F)cc(F)c1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H21F2NO/c17-13-9-12(10-14(18)11-13)15(20)16(5-1-2-6-16)19-7-3-4-8-19/h9-11,15,20H,1-8H2
InChIKeyMKHJTDOJHPMKET-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.41
Rot. Bonds3

About (3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol

(3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol (PubChem CID 79057940) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
PubChem CID79057940
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
SMILESOC(c1cc(F)cc(F)c1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H21F2NO/c17-13-9-12(10-14(18)11-13)15(20)16(5-1-2-6-16)19-7-3-4-8-19/h9-11,15,20H,1-8H2
InChIKeyMKHJTDOJHPMKET-UHFFFAOYSA-N
XLogP3.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 94532
Etafedrine Hydrochloride
CID 76964725
2-(Diethylamino)-1-phenylethanol
CID 223392
Flerobuterol
CID 71254
(1R)-2-[(1S,5R)-3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylethanol
CID 168270550
(1R)-2-[(1S,5R)-3-benzylidene-8-azabicyclo[3.2.1]octan-8-yl]-1-(4-fluorophenyl)ethanol
CID 168270750
(1S)-2-[(1R,5S)-3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylethanol
CID 168273053
(1R)-1-(4-fluorophenyl)-2-[(1R,5S)-3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octan-8-yl]ethanol
CID 168274137
(1R)-2-[(1S,5R)-3-benzyl-8-azabicyclo[3.2.1]octan-8-yl]-1-(4-fluorophenyl)ethanol
CID 168276105
(1R)-2-[(1S,5R)-3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylethanol
CID 168278843
(1R)-1-(4-fluorophenyl)-2-[(1R,5S)-3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol
CID 168279655
2-Ethylmethylamino-1-phenylpropan-1-ol
CID 10734

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The IUPAC name of (3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol (CID 79057940) is (3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol.
What is the SMILES notation for (3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The canonical SMILES for (3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol is OC(c1cc(F)cc(F)c1)C1(N2CCCC2)CCCC1.
What is the InChIKey of (3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The InChIKey is MKHJTDOJHPMKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c17-13-9-12(10-14(18)11-13)15(20)16(5-1-2-6-16)19-7-3-4-8-19/h9-11,15,20H,1-8H2.
What are the key properties of (3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
(3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol has a molecular weight of 281.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol is sourced from PubChem (CID 79057940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).