(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol

C16H21F2NO — CID 79057689

IUPAC(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
SMILESOC(c1ccc(F)cc1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H21F2NO/c17-12-5-6-13(14(18)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
InChIKeyTTXJIXURCWHAIO-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.41
Rot. Bonds3

About (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol

(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol (PubChem CID 79057689) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
PubChem CID79057689
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
SMILESOC(c1ccc(F)cc1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H21F2NO/c17-12-5-6-13(14(18)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
InChIKeyTTXJIXURCWHAIO-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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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The IUPAC name of (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol (CID 79057689) is (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol.
What is the SMILES notation for (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The canonical SMILES for (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol is OC(c1ccc(F)cc1F)C1(N2CCCC2)CCCC1.
What is the InChIKey of (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The InChIKey is TTXJIXURCWHAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c17-12-5-6-13(14(18)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 (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
(2,4-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 (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol is sourced from PubChem (CID 79057689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).