2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol

C17H23ClFNO — CID 107884295

IUPAC2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H23ClFNO/c18-14-6-5-13(11-15(14)19)12-16(21)17(7-1-2-8-17)20-9-3-4-10-20/h5-6,11,16,21H,1-4,7-10,12H2
InChIKeyNUDVVKCJADAWOE-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol

2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol (PubChem CID 107884295) has the molecular formula C17H23ClFNO and a molecular weight of 311.83 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
PubChem CID107884295
Molecular FormulaC17H23ClFNO
Molecular Weight311.83 g/mol
Exact Mass311.15
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H23ClFNO/c18-14-6-5-13(11-15(14)19)12-16(21)17(7-1-2-8-17)20-9-3-4-10-20/h5-6,11,16,21H,1-4,7-10,12H2
InChIKeyNUDVVKCJADAWOE-UHFFFAOYSA-N
XLogP3.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
CID 114347509
2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
CID 79060564
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
1-chloro-4-(2-chloro-3-methylbutyl)-2-fluorobenzene
CID 130480157
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
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2-(4-chloro-3-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 107883504
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol
CID 79058275
[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol
CID 107894887
2-(furan-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
CID 83174790
2-(furan-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanol
CID 83174976
2-(4-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 107883519

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol (CID 107884295) is 2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol is OC(Cc1ccc(Cl)c(F)c1)C1(N2CCCC2)CCCC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
The InChIKey is NUDVVKCJADAWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFNO/c18-14-6-5-13(11-15(14)19)12-16(21)17(7-1-2-8-17)20-9-3-4-10-20/h5-6,11,16,21H,1-4,7-10,12H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol has a molecular weight of 311.83 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol is sourced from PubChem (CID 107884295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).