(5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol

C16H21BrFNO — CID 79742832

IUPAC(5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
SMILESOC(c1cc(Br)ccc1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H21BrFNO/c17-12-5-6-14(18)13(11-12)15(20)16(7-1-2-8-16)19-9-3-4-10-19/h5-6,11,15,20H,1-4,7-10H2
InChIKeyLLFDNUWTNGUHFM-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.03
Rot. Bonds3

About (5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol

(5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol (PubChem CID 79742832) has the molecular formula C16H21BrFNO and a molecular weight of 342.25 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
PubChem CID79742832
Molecular FormulaC16H21BrFNO
Molecular Weight342.25 g/mol
Exact Mass341.08
IUPAC Name(5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
SMILESOC(c1cc(Br)ccc1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H21BrFNO/c17-12-5-6-14(18)13(11-12)15(20)16(7-1-2-8-16)19-9-3-4-10-19/h5-6,11,15,20H,1-4,7-10H2
InChIKeyLLFDNUWTNGUHFM-UHFFFAOYSA-N
XLogP4.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
CID 79057689
(4-fluoro-3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanol
CID 79057735
(3,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
CID 79057940
(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753761
(S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol
CID 124515845
1-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methylpiperidine-2-carboxylic acid
CID 104599079
[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol
CID 79123889
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79057699
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
[(5-bromo-2-fluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105323101

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol (CID 79742832) is (5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol is OC(c1cc(Br)ccc1F)C1(N2CCCC2)CCCC1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The InChIKey is LLFDNUWTNGUHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFNO/c17-12-5-6-14(18)13(11-12)15(20)16(7-1-2-8-16)19-9-3-4-10-19/h5-6,11,15,20H,1-4,7-10H2.
What are the key properties of (5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
(5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol has a molecular weight of 342.25 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol is sourced from PubChem (CID 79742832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).