2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol

C20H26FNO — CID 141298033

IUPAC2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol
SMILESCC(C)(O)c1ccc([C@@H](CC2CCCC2)c2ccc[nH]2)cc1F
InChIInChI=1S/C20H26FNO/c1-20(2,23)17-10-9-15(13-18(17)21)16(19-8-5-11-22-19)12-14-6-3-4-7-14/h5,8-11,13-14,16,22-23H,3-4,6-7,12H2,1-2H3/t16-/m1/s1
InChIKeyIXMUZAHDAFRTQS-MRXNPFEDSA-N
MW315.43 g/mol
LogP5.09
Rot. Bonds5

About 2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol

2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol (PubChem CID 141298033) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is 2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol
PubChem CID141298033
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol
SMILESCC(C)(O)c1ccc([C@@H](CC2CCCC2)c2ccc[nH]2)cc1F
InChIInChI=1S/C20H26FNO/c1-20(2,23)17-10-9-15(13-18(17)21)16(19-8-5-11-22-19)12-14-6-3-4-7-14/h5,8-11,13-14,16,22-23H,3-4,6-7,12H2,1-2H3/t16-/m1/s1
InChIKeyIXMUZAHDAFRTQS-MRXNPFEDSA-N
XLogP5.09
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.43
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol with MolForge

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Related Compounds

4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-1-methyl-piperidin-4-ol
CID 44458305
trans-(1S,3R)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127043869
cis-(1R,3R)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127043870
trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127044467
cis-(1S,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127045425
alpha-(2-(1-Pyrrolidinyl)ethyl)-alpha-(p-tolyl)pyridine-2-methanol
CID 11970576
2-(4-Fluorophenyl)-4-(4-hydroxypiperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrrole
CID 9819174
2-Bicyclo[2.2.1]hept-2-enyl-phenyl-pyridin-2-ylmethanol
CID 44424921
(R)-(4-fluorophenyl)-piperidin-4-yl-pyridin-2-ylmethanol
CID 122180079
(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
CID 134942002
2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol
CID 57259361
1H-Pyrrole-3-methanol, 5-(2-fluorophenyl)-
CID 86232771

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol?
The IUPAC name of 2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol (CID 141298033) is 2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol?
The canonical SMILES for 2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol is CC(C)(O)c1ccc([C@@H](CC2CCCC2)c2ccc[nH]2)cc1F.
What is the InChIKey of 2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol?
The InChIKey is IXMUZAHDAFRTQS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26FNO/c1-20(2,23)17-10-9-15(13-18(17)21)16(19-8-5-11-22-19)12-14-6-3-4-7-14/h5,8-11,13-14,16,22-23H,3-4,6-7,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol?
2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol has a molecular weight of 315.43 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-2-cyclopentyl-1-(1H-pyrrol-2-yl)ethyl]-2-fluorophenyl]propan-2-ol is sourced from PubChem (CID 141298033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).